C9H10n2O5 6H-Furo [2 ', 3': 4,5-a) Pyrimzoly-6-6-Tetrah) --,3A, 3mh, 9As, ACI)
Àireamh Clàrs Cas
3736-77-4
Prìomh thogalaichean corporra | Luach | Suidheachadh |
Cuideam molecular | 226.19 | - |
Puing leaghte (deuchainneach) | 234-235 ° C. | - |
Puing goil (ro-innse) | 456.3 ± 55.0 ° C. | Brùth: 760 Torr |
Dùmhlachd (ro-innse) | 2.01 ± 0.1 G / cm3 | Temp: 20 ° C; Brùth: 760 Torr |
paka (ro-innse) | 12.55 ± 00 | Temp as searbhagach: 25 ° C. |
Smiles Canonical
O = c1n = c2oc3c (O) C (OC3N2C = C1) CO
Gàire isomicic
O [c @ hy [c @] 2 ([c @] (O2C) = {C3) (o [c @@] 1co) [h]) [h]
Inchi
Inchi = 1s / C9H8N2O5 / C12-3-4-4-4-4-4 (14-2,4-2,4-, 8- / M1 / S1
Iuchair Inchi
Uugitdawnowag-ccxzuqjuqusa-n
13 ainmean eile airson an stuth seo
(2R, 3 r, 3As, 9AS) -2,3A, 9A-Tetoiry-3- (4,2-a] pyrimidaid-6-her (aci); 6h-Furo [2 ', 3': 4,5] Oxazolo [3,2-a] pyrimid-3-Tetoiry-3- (hydroxy-2- (6ci, 7ci); 6h-Furo [2 ', 3': 4,5] oxazolo [3,2-a] - (2mh, 3β, 3a 1. (ZCI); 6h-Furo [2 ', 3': 4,5] Oxazolo [3,2-a]
Pyrimidin-6-Aon, 2,3,3a, 9A-Tetoiry-3-Tetoiry-2- (HydroxyL) -, stereoisomer (8ci); 2,2 '-aoshydro (1- β -D-ababushofuranyl) URALIL; 2,2 '-ahydro-1- β-arte-Arabino-Furansylcils; 2,2 '-Ahydro-n1- (β -D-ababushofuranyl) uril; 2,2 '-Hywilldromine; 2,2 '-o -o-roycloualidine; NSC 157148; O2,2 '-Hywilldromine; O2,2 '--cyclourliga; β -D-2 ', 2-o-coyclorabinouridine
Togalaichean rim faighinn
Optigeach agus sgapadh
Thermal
Seilbh | Luach | Suidheachadh | Stòr |
Cumhachd rotactive optigeach | -9 deg | Fuasgladh: methanol; λ: 589.3 NM; Temp: 26 ° C. | (1) cas |
(1) Codington, John f.; Iris Comann Ceimigeach Ameireagaidh, (1961), 83, 5030-1, caperlus
Seilbh | Luach | Suidheachadh | Stòr |
Puing leaghaidh | 250-253 ° C. | (1) cas | |
Puing leaghaidh | 246 ° C. | Fuasgladh: ethanol; Isopropanol | (2) cas |
Puing leaghaidh | 242-245 ° C. | (3) cas | |
Puing leaghaidh | 242-243 ° C. | (4) cas | |
Puing leaghaidh | 236-238 ° C (Ocomp) | (5) cas | |
Puing leaghaidh | 234 ° C. | (6) cas | |
Puing leaghaidh | 234-235 ° C. | (7) cas | |
Puing leaghaidh | 233-234 ° C (Decomp) | Fuasgladh: methanol | (8) cas |
Puing leaghaidh | Faic an làn theacsa | (9) cas |
(1) lin, kun-i.; Iris Comann Ceimigeach Sìneach (Taipei, Taiwan), (2007), 54 (2), 563-568, caperlus
(2) Takatsuki, Ken-ichi; Nuccesoside, odscotides & ncccolites, (2006), 25 (7), 719-734, carplus
(3) Wnuk, Stanislaw f .; Iris Ceimigre Organach, (2002), 67 (6), 1816-1819, carperlus
(4) Sgankier, Maurycy; Nucclasach, odscotides & ncccolisides, (2016- (8), 410-425, caperlus
(5) Marumoto, Ryuji; Takeda Kenkyhyuso Neenpo, (1967), 26, 21-3, caperlus
(6) Krizmanic, Irena; Tetrachail, (2003), 59 (2345-4057, caperlus
(7) Brown, DM; Iris Comann Ceimigeach, (1958), 3035-8, carperlus
(8) LI, HEING; Conaltradh Synthetic, (2006), 36 (14), 1933-1940, carperlus
(9) Codhington, John f .; Iris Comann Ceimigeach Ameireagaidh, (1961), 83, 5030-1, caperlus
Spectra ri fhaighinn
1 h nmr
13 c nmr
IR
Spectra ri fhaighinn
Maise
Togalaichean rim faighinn
Bith-eòlasach
Ceimigeach
Dùmhlachd
Lipinski
Structar co-cheangailte
Thermal
Seilbh | Luach | Suidheachadh | Stòr |
Dà fhaclan bith-eòlasach | 1.0 | Ph 1; Temp: 25 ° C. | (1) ACD |
Dà fhaclan bith-eòlasach | 1.0 | Ph 2; Temp: 25 ° C. | (1) ACD |
Dà fhaclan bith-eòlasach | 1.0 | Ph 3; Temp: 25 ° C. | (1) ACD |
Dà fhaclan bith-eòlasach | 1.0 | Ph 4; Temp: 25 ° C. | (1) ACD |
Dà fhaclan bith-eòlasach | 1.0 | Ph 5; Temp: 25 ° C. | (1) ACD |
Dà fhaclan bith-eòlasach | 1.0 | Ph 6; Temp: 25 ° C. | (1) ACD |
Dà fhaclan bith-eòlasach | 1.0 | Ph 7; Temp: 25 ° C. | (1) ACD |
Dà fhaclan bith-eòlasach | 1.0 | Ph 8; Temp: 25 ° C. | (1) ACD |
Dà fhaclan bith-eòlasach | 1.0 | Ph 9; Temp: 25 ° C. | (1) ACD |
Dà fhaclan bith-eòlasach | 1.0 | Ph 10; Temp: 25 ° C. | (1) ACD |
(1) Air a thomhas a 'cleachdadh leasachadh ceimigeachd adhartach (ACD / LABS) Bathar-bog V11.02 (© 1994-2023 ACD / LAìoban)
Seilbh | Luach | Suidheachadh | Stòr |
Koc | 7.66 | Ph 1; Temp: 25 ° C. | (1) ACD |
Koc | 7.66 | Ph 2; Temp: 25 ° C. | (1) ACD |
Koc | 7.66 | Ph 3; Temp: 25 ° C. | (1) ACD |
Koc | 7.66 | Ph 4; Temp: 25 ° C. | (1) ACD |
Koc | 7.66 | Ph 5; Temp: 25 ° C. | (1) ACD |
Koc | 7.66 | Ph 6; Temp: 25 ° C. | (1) ACD |
Koc | 7.66 | Ph 7; Temp: 25 ° C. | (1) ACD |
Koc | 7.66 | Ph 8; Temp: 25 ° C. | (1) ACD |
Seilbh | Luach | Suidheachadh | Stòr |
Koc | 7.66 | Ph 9; Temp: 25 ° C. | (1) ACD |
Koc | 7.64 | Ph 10; Temp: 25 ° C. | (1) ACD |
logd | -0.91 | Ph 1; Temp: 25 ° C. | (1) ACD |
logd | -0.91 | Ph 2; Temp: 25 ° C. | (1) ACD |
logd | -0.91 | Ph 3; Temp: 25 ° C. | (1) ACD |
logd | -0.91 | Ph 4; Temp: 25 ° C. | (1) ACD |
logd | -0.91 | Ph 5; Temp: 25 ° C. | (1) ACD |
logd | -0.91 | Ph 6; Temp: 25 ° C. | (1) ACD |
logd | -0.91 | Ph 7; Temp: 25 ° C. | (1) ACD |
logd | -0.91 | Ph 8; Temp: 25 ° C. | (1) ACD |
logd | -0.91 | Ph 9; Temp: 25 ° C. | (1) ACD |
logd | -0.91 | Ph 10; Temp: 25 ° C. | (1) ACD |
logp | -0.906 ± 0.555 | Temp: 25 ° C. | (1) ACD |
Misneachd solbalileachd neo-ghnèitheach mòr | 4.7 G / L | Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 4.7 G / L | Ph 1; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 4.7 G / L | Ph 2; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 4.7 G / L | Ph 3; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 4.7 G / L | Ph 4; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 4.7 G / L | Ph 5; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 4.7 G / L | Ph 6; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 4.7 G / L | Ph 7; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 4.7 G / L | Ph 8; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 4.7 G / L | Ph 9; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 4.7 G / L | Ph 10; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 4.7 G / L | Uisge neo-lobbuffered pH 6.91; Temp: 25 ° C. | (1) ACD |
Solbalileachd neo-ghnèitheach molar | 0.021 Mol / L. | Temp: 25 ° C. | (1) ACD |
Solubility molar | 0.021 Mol / L. | Ph 1; Temp: 25 ° C. | (1) ACD |
Solubility molar | 0.021 Mol / L. | Ph 2; Temp: 25 ° C. | (1) ACD |
Solubility molar | 0.021 Mol / L. | Ph 3; Temp: 25 ° C. | (1) ACD |
Solubility molar | 0.021 Mol / L. | Ph 4; Temp: 25 ° C. | (1) ACD |
Solubility molar | 0.021 Mol / L. | Ph 5; Temp: 25 ° C. | (1) ACD |
Solubility molar | 0.021 Mol / L. | Ph 6; Temp: 25 ° C. | (1) ACD |
Seilbh | Luach | Suidheachadh | Stòr |
Solubility molar | 0.021 Mol / L. | Ph 7; Temp: 25 ° C. | (1) ACD |
Solubility molar | 0.021 Mol / L. | Ph 8; Temp: 25 ° C. | (1) ACD |
Solubility molar | 0.021 Mol / L. | Ph 9; Temp: 25 ° C. | (1) ACD |
Solubility molar | 0.021 Mol / L. | Ph 10; Temp: 25 ° C. | (1) ACD |
Solubility molar | 0.021 Mol / L. | Uisge neo-lobbuffered pH 6.91; Temp: 25 ° C. | (1) ACD |
Cuideam molecular | 226.19 | ||
paka | 12.55 ± 00 | Temp as searbhagach: 25 ° C. | (1) ACD |
paka | -4.68 ± 0.60 | Temp as bunaitiche: 25 ° C. | (1) ACD |
Cuideam vapor | 3.04 X 10-10 Torr | Temp: 25 ° C. | (1) ACD |
(1) Air a thomhas a 'cleachdadh leasachadh ceimigeachd adhartach (ACD / LABS) Bathar-bog V11.02 (© 1994-2023 ACD / LAìoban)
Seilbh | Luach | Suidheachadh | Stòr |
Dùmhlachd | 2.01 ± 0.1 G / cm3 | Temp: 20 ° C; Brùth: 760 Torr | (1) ACD |
Tomhas-lìonaidh molar | 112.3 ± 7.0 cm3 / mol | Temp: 20 ° C; Brùth: 760 Torr | (1) ACD |
(1) Air a thomhas a 'cleachdadh leasachadh ceimigeachd adhartach (ACD / LABS) Bathar-bog V11.02 (© 1994-2023 ACD / LAìoban)
Seilbh | Luach | Suidheachadh | Stòr |
Bannan gu tur ro-bheathaichte | 3 | (1) ACD | |
Hrrairean | 7 | (1) ACD | |
Hnors her | 2 | (1) ACD | |
H tabhartaiche / geurraiche suim | 9 | (1) ACD | |
logp | -0.906 ± 0.555 | Temp: 25 ° C. | (1) ACD |
Cuideam molecular | 226.19 |
(1) Air a thomhas a 'cleachdadh leasachadh ceimigeachd adhartach (ACD / LABS) Bathar-bog V11.02 (© 1994-2023 ACD / LAìoban)
Seilbh | Luach | Stòr cumhachd |
Raon uachdar pòla | 91.6 A2 | (1) ACD |
(1) Air a thomhas a 'cleachdadh leasachadh ceimigeachd adhartach (ACD / LABS) Bathar-bog V11.02 (© 1994-2023 ACD / LAìoban)
Seilbh | Luach | Suidheachadh | Stòr |
Point Point | 456.3 ± 55.0 ° C. | Brùth: 760 Torr | (1) ACD |
Seilbh | Luach | Suidheachadh | Stòr |
Enthalpy of Vaporization | 82.62 ± 6.0 KJ / MOL | Brùth: 760 Torr | (1) ACD |
Puing Flash | 229.8 ± 31.5 ° C. | (1) ACD |
(1) Air a thomhas a 'cleachdadh leasachadh ceimigeachd adhartach (ACD / LABS) Bathar-bog V11.02 (© 1994-2023 ACD / LAìoban)
Spectra ri fhaighinn
1 h nmr
13 c nmr
Còd ath-aithris cunntaraidh | |
H302 cronail ma tha thu a 'slugadh | Buidheann Ceimigeach Eòrpach (Echa) Seòrsachadh & Labeling Clàr-stuthan Cunntas-sluaigh agus Labeling - Nothan as cumanta, Buidheann Cheimigeach Eòrpach (Echa) Clàr-seilbhe & Labeling - Clàr-seilbhe fios agus bileag - A 'GABHAIL A-STEACH - A' mhòr-chuid de dh 'aithrisean as miosa |