C10h12N2o5 6H-Furo [2 ', 3': 4,5-a h-aon-ìre-3-methyl-, (2mh, 9As, 9As) - (ACI)
Àireamh Clàrs Cas
22423-26-3
Prìomh thogalaichean corporra | Luach | Suidheachadh |
Cuideam molecular | 240.21 | - |
Puing leaghte (deuchainneach) | 218 ° C. | Fuasgladh: ethanol; Isopropanol |
Puing goil (ro-innse) | 452.0 ± 55.0 ° C. | Brùth: 760 Torr |
Dùmhlachd (ro-innse) | 1.88 ± 0.1 G / cm3 | Temp: 20 ° C; Brùth: 760 Torr |
paka (ro-innse) | 12.56 ± 0.60 | Temp as searbhagach: 25 ° C. |
Smiles Canonical
O = c1n = c2oc3c (O) C (OC3N2C = C1C) CO
Gàire isomicic
O [c @ h har 1 [C @] 2 ([C @] (3c) = / [c @@] 1co) [h]) [h]
Inchi
Inchi = 1s / c10h12N2o5 / C1-2-2-12-9-7-7 (6-13-, 6-, 7- / M1 / S1
Iuchair Inchi
Wlloaucnumumyq-Jagxnfqsa-n
17 ainmean eile airson an stuth seo
(2R,3 R, 3aS, 9aR) -2,3A, 9A-Tetrahydro-3-hydroad-2- (hydroxyl) -7-methyl-6H-furo [2 ', 3': 4,5] oxazolo [3,2-a] pyrimidin-6-her (aci);
6H-Furo [2 ', 3': 4,5] oxazolo [3,2-a] Pyrimidin-6-6-Aon, 2,3, 9A-Tetoiry-3- (HydroxyL) -7-methyl- (6ci, 8ci, 8ci); 6H-Furo
[2 ', 3': 4,5] Oxazolo [3,2-a] pyrimidin-6-6-aon, 2,3,3a, 9A-Tetoiry-3-hydro-2- (hydroymyl) -7-methyl-, [2R- (2α, 3Β, 3aβ, 9aβ, 9a)] - (Zci Zci);
11: PN: US2004004004004699 Duilleag: 18 A 'tagradh DNA; 12: PN: US200400400400400400400400400455 Duilleag: 17- Thuirt 17 17- 22; 12: PN: US200400400400400400400400570 Duilleag: 18 A 'tagradh DNA; 12: PN: US20040040040040006029 Duilleag: 21 Airgraiche DNA; 12: PN: US20040040040014051 Duilleag: 21 Air an tagradh DNA; 1: PN: W20050 06958 Duilleag: 59 Chaidh 59 a-steach DNA; 2,2 '-Abhydro (1- β -D-arabasUrnouranyl) - 5-methylcilcil; 3: PN: WOMANT005007825 Duilleag: 59 A 'tagradh DNA; 84: PN: US200400400400400400400400007 Duilleag: 18 A 'tagradh DNA; 9: PN: US2004004004048 Duilleag: 19 A 'tagradh DNA; 9: PN: US2004004049 Duilleag: 19
Thuirt DNA;O2,2 '-ahydro-5-Methyluidine; O2,2 '-Ahydro-5-Methyluidine; Tk 112690
Togalaichean rim faighinn
Thermal
Seilbh | Luach | Suidheachadh | Stòr |
Puing leaghaidh | 240-242 ° C. | (1) cas | |
Puing leaghaidh | 218 ° C. | Fuasgladh: ethanol; Isopropanol | (2) cas |
Puing leaghaidh | Faic an làn theacsa | (3) cas | |
Puing leaghaidh | Faic an làn theacsa | (4) cas |
(1) Olliveira, Maralise p .; Iris Comann Ceimigeach Brazilach, (2015), 26 (4), 816-821, carperlus
(2) Takatsuki, Ken-ichi; Nuccesoside, odscotides & ncccolites, (2006), 25 (7), 719-734, carplus
(3) Manaoghar, Muthiah; US20030088079, A1, 2003, CAPPLITLUL
(4) Miraglia, Loren J .; WOM2003048315, A2, 2003, CAPTLIPLI
Spectra ri fhaighinn
1 h nmr
13 c nmr
Hetero nmr
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 | 12.9 | Ph 1; Temp: 25 ° C. | (1) ACD |
Koc | 12.9 | Ph 2; Temp: 25 ° C. | (1) ACD |
Koc | 12.9 | Ph 3; Temp: 25 ° C. | (1) ACD |
Koc | 12.9 | Ph 4; Temp: 25 ° C. | (1) ACD |
Koc | 12.9 | Ph 5; Temp: 25 ° C. | (1) ACD |
Koc | 12.9 | Ph 6; Temp: 25 ° C. | (1) ACD |
Koc | 12.9 | Ph 7; Temp: 25 ° C. | (1) ACD |
Koc | 12.9 | Ph 8; Temp: 25 ° C. | (1) ACD |
Koc | 12.9 | Ph 9; Temp: 25 ° C. | (1) ACD |
Koc | 12.9 | Ph 10; Temp: 25 ° C. | (1) ACD |
logd | -0.49 | Ph 1; Temp: 25 ° C. | (1) ACD |
logd | -0.49 | Ph 2; Temp: 25 ° C. | (1) ACD |
logd | -0.49 | Ph 3; Temp: 25 ° C. | (1) ACD |
logd | -0.49 | Ph 4; Temp: 25 ° C. | (1) ACD |
logd | -0.49 | Ph 5; Temp: 25 ° C. | (1) ACD |
logd | -0.49 | Ph 6; Temp: 25 ° C. | (1) ACD |
logd | -0.49 | Ph 7; Temp: 25 ° C. | (1) ACD |
logd | -0.49 | Ph 8; Temp: 25 ° C. | (1) ACD |
logd | -0.49 | Ph 9; Temp: 25 ° C. | (1) ACD |
logd | -0.49 | Ph 10; Temp: 25 ° C. | (1) ACD |
Seilbh | Luach | Suidheachadh | Stòr |
logp | -0.491 ± 0.556 | Temp: 25 ° C. | (1) ACD |
Misneachd solbalileachd neo-ghnèitheach mòr | 3.1 G / L | Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 3.1 G / L | Ph 1; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 3.1 G / L | Ph 2; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 3.1 G / L | Ph 3; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 3.1 G / L | Ph 4; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 3.1 G / L | Ph 5; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 3.1 G / L | Ph 6; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 3.1 G / L | Ph 7; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 3.1 G / L | Ph 8; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 3.1 G / L | Ph 9; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 3.1 G / L | Ph 10; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 3.1 G / L | Uisge neo-lobbuffered pH 6.94; Temp: 25 ° C. | (1) ACD |
Solbalileachd neo-ghnèitheach molar | 0.013 Mol / L. | Temp: 25 ° C. | (1) ACD |
Solubility molar | 0.013 Mol / L. | Ph 1; Temp: 25 ° C. | (1) ACD |
Solubility molar | 0.013 Mol / L. | Ph 2; Temp: 25 ° C. | (1) ACD |
Solubility molar | 0.013 Mol / L. | Ph 3; Temp: 25 ° C. | (1) ACD |
Solubility molar | 0.013 Mol / L. | Ph 4; Temp: 25 ° C. | (1) ACD |
Solubility molar | 0.013 Mol / L. | Ph 5; Temp: 25 ° C. | (1) ACD |
Solubility molar | 0.013 Mol / L. | Ph 6; Temp: 25 ° C. | (1) ACD |
Solubility molar | 0.013 Mol / L. | Ph 7; Temp: 25 ° C. | (1) ACD |
Solubility molar | 0.013 Mol / L. | Ph 8; Temp: 25 ° C. | (1) ACD |
Solubility molar | 0.013 Mol / L. | Ph 9; Temp: 25 ° C. | (1) ACD |
Solubility molar | 0.013 Mol / L. | Ph 10; Temp: 25 ° C. | (1) ACD |
Solubility molar | 0.013 Mol / L. | Uisge neo-lobbuffered pH 6.94; Temp: 25 ° C. | (1) ACD |
Cuideam molecular | 240.21 | ||
paka | 12.56 ± 0.60 | Temp as searbhagach: 25 ° C. | (1) ACD |
paka | -4.36 ± 0.60 | Temp as bunaitiche: 25 ° C. | (1) ACD |
Cuideam vapor | 4.54 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 | 1.88 ± 0.1 G / cm3 | Temp: 20 ° C; Brùth: 760 Torr | (1) ACD |
Tomhas-lìonaidh molar | 127.5 ± 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 | -0.491 ± 0.556 | Temp: 25 ° C. | (1) ACD |
Cuideam molecular | 240.21 |
(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 | 452.0 ± 55.0 ° C. | Brùth: 760 Torr | (1) ACD |
Enthalpy of Vaporization | 82.04 ± 6.0 KJ / MOL | Brùth: 760 Torr | (1) ACD |
Puing Flash | 227.2 ± 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 ⁿ
1 h nmr
13 c nmr