C30H30n2o8 Urras, 5'-o- [BIS (4-Neach-obrach) dha na Leumnylmethyl] - (9ci, ACI)
Prìomh thogalaichean corporra | Luach | Suidheachadh |
Cuideam molecular | 546.57 | - |
Puing leaghte (deuchainneach) | 111-112 ° C. | Solvent: Ethyl acetate |
Dùmhlachd (ro-innse) | 1.343 ± 0.06 G / cm3 | Temp: 20 ° C; Brùth: 760 Torr |
paka (ro-innse) | 9.39 ± 0.10 | Temp as searbhagach: 25 ° C. |
Gàire canonical o = c1c = cn (c (= o) n1) C = cc = c (OC = c = cc = c (Oc) c = c5) c (o) c2o
Isomeric SMILES C(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C(=O)NC(=O)C=C2)(C3=CC=C(OC)C=C3)(C4=CC=C(OC)C=C4)C5=CC=CC=C5
Inchi
Inchi = 1s / c30N2o8 / C1-3-22-12-2-22-5-5-5-5-5-5-5-5-5-5-22 (33-24 (40-24) 32-
17-16-25 (33) 31-29 (32) 36 / H3-17,26,36,36- "26-, 28- / S1
Iuchair Inchi
PCSNQYXXACUHM-YULOIDFSA-N.
4 Ainmean eile airson an stuth seo
5'-O- [BIS (4-Bùth-latha-cluiche) dha na Fuylmynthyl] uridine (aci); Urras, 5'-o- [α, α-bis (p-motaireachd) Benzyl] - (7c); 5'-dimetoystrityl losidine; 5'-o- (4,4'-dimetoystrityl) uridine
Togalaichean rim faighinn |
Thermal |
Thermal
Seilbh | Luach | Suidheachadh | Stòr | |
Puing leaghaidh | 122-123 ° C. | (1) cas | ||
Puing leaghaidh | 111-112 ° C. | Fuasgladh: | Ethyl acetate | (2) cas |
Puing leaghaidh | Faic an làn theacsa | (3) cas |
(1) Zekri, Nega; Iris de Chomann Ceimigeach Ethiopia, (2010), 24 (2), 299-304, carperlus
(2) Pàil, romrao; Iris Ceimigeachd Carbohydrad, (2008), 27 (5), 279-293, caperlus
(3) Khalaci-nezhad, Ali; Litrichean Tet bhuilgear, (2004), 45 (36), 6737-6739, carperlus
Spectra ri fhaighinn
1h nmr
13c nmr
Maise
Togalaichean rim faighinn |
Bith-eòlasach |
Ceimigeach |
Dùmhlachd |
Lipinski |
Structar co-cheangailte |
Bith-eòlasach
Seilbh | Luach | Suidheachadh | Stòr |
Dà fhaclan bith-eòlasach | 904 | Ph 1; Temp: 25 ° C. | (1) ACD |
Dà fhaclan bith-eòlasach | 904 | Ph 2; Temp: 25 ° C. | (1) ACD |
Dà fhaclan bith-eòlasach | 904 | Ph 3; Temp: 25 ° C. | (1) ACD |
Dà fhaclan bith-eòlasach | 904 | Ph 4; Temp: 25 ° C. | (1) ACD |
Dà fhaclan bith-eòlasach | 904 | Ph 5; Temp: 25 ° C. | (1) ACD |
Dà fhaclan bith-eòlasach | 904 | Ph 6; Temp: 25 ° C. | (1) ACD |
Dà fhaclan bith-eòlasach | 900 | Ph 7; Temp: 25 ° C. | (1) ACD |
Dà fhaclan bith-eòlasach | 861 | Ph 8; Temp: 25 ° C. | (1) ACD |
Dà fhaclan bith-eòlasach | 602 | Ph 9; Temp: 25 ° C. | (1) ACD |
Seilbh | Luach | Suidheachadh | Stòr |
Dà fhaclan bith-eòlasach | 156 | 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)
Ceimigeach
Seilbh | Luach | Suidheachadh | Stòr |
Koc | 4550 | Ph 1; Temp: 25 ° C. | (1) ACD |
Koc | 4550 | Ph 2; Temp: 25 ° C. | (1) ACD |
Koc | 4550 | Ph 3; Temp: 25 ° C. | (1) ACD |
Koc | 4550 | Ph 4; Temp: 25 ° C. | (1) ACD |
Koc | 4550 | Ph 5; Temp: 25 ° C. | (1) ACD |
Koc | 4540 | Ph 6; Temp: 25 ° C. | (1) ACD |
Koc | 4520 | Ph 7; Temp: 25 ° C. | (1) ACD |
Koc | 4330 | Ph 8; Temp: 25 ° C. | (1) ACD |
Koc | 3030 | Ph 9; Temp: 25 ° C. | (1) ACD |
Koc | 785 | Ph 10; Temp: 25 ° C. | (1) ACD |
logd | 4.19 | Ph 1; Temp: 25 ° C. | (1) ACD |
logd | 4.19 | Ph 2; Temp: 25 ° C. | (1) ACD |
logd | 4.19 | Ph 3; Temp: 25 ° C. | (1) ACD |
logd | 4.19 | Ph 4; Temp: 25 ° C. | (1) ACD |
logd | 4.19 | Ph 5; Temp: 25 ° C. | (1) ACD |
logd | 4.19 | Ph 6; Temp: 25 ° C. | (1) ACD |
logd | 4.19 | Ph 7; Temp: 25 ° C. | (1) ACD |
logd | 4.17 | Ph 8; Temp: 25 ° C. | (1) ACD |
logd | 4.02 | Ph 9; Temp: 25 ° C. | (1) ACD |
logd | 3.43 | Ph 10; Temp: 25 ° C. | (1) ACD |
logp | 4.192 ± 0.628 | Temp: 25 ° C. | (1) ACD |
Misneachd solbalileachd neo-ghnèitheach mòr | 3.2 x 10-4 G / L | Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 3.2 x 10-4 G / L | Ph 1; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 3.2 x 10-4 G / L | Ph 2; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 3.2 x 10-4 G / L | Ph 3; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 3.2 x 10-4 G / L | Ph 4; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 3.2 x 10-4 G / L | Ph 5; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 3.2 x 10-4 G / L | Ph 6; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 3.2 x 10-4 G / L | Ph 7; Temp: 25 ° C. | (1) ACD |
Seilbh | Luach | Suidheachadh | Stòr |
Solbuility mòr | 3.3 X 10-4 G / L. | Ph 8; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 4.8 x 10-4 G / L | Ph 9; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 1.9 x 10-3 G / L. | Ph 10; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 3.2 x 10-4 G / L | Uisge Unbuffered PH 6.99; Temp: 25 ° C. | (1) ACD |
Solbalileachd neo-ghnèitheach molar | 5.8 x 10-7 Mol / L. | Temp: 25 ° C. | (1) ACD |
Solubility molar | 5.8 x 10-7 Mol / L. | Ph 1; Temp: 25 ° C. | (1) ACD |
Solubility molar | 5.8 x 10-7 Mol / L. | Ph 2; Temp: 25 ° C. | (1) ACD |
Solubility molar | 5.8 x 10-7 Mol / L. | Ph 3; Temp: 25 ° C. | (1) ACD |
Solubility molar | 5.8 x 10-7 Mol / L. | Ph 4; Temp: 25 ° C. | (1) ACD |
Solubility molar | 5.8 x 10-7 Mol / L. | Ph 5; Temp: 25 ° C. | (1) ACD |
Solubility molar | 5.8 x 10-7 Mol / L. | Ph 6; Temp: 25 ° C. | (1) ACD |
Solubility molar | 5.8 x 10-7 Mol / L. | Ph 7; Temp: 25 ° C. | (1) ACD |
Solubility molar | 6.1 x 10-7 Mol / L. | Ph 8; Temp: 25 ° C. | (1) ACD |
Solubility molar | 8.7 x 10-7 Mol / L. | Ph 9; Temp: 25 ° C. | (1) ACD |
Solubility molar | 3.4 x 10-6 Mol / L. | Ph 10; Temp: 25 ° C. | (1) ACD |
Solubility molar | 5.8 x 10-7 Mol / L. | Uisge Unbuffered PH 6.99; Temp: 25 ° C. | (1) ACD |
Cuideam molecular | 546.57 | ||
paka | 9.39 ± 0.10 | Temp as searbhagach: 25 ° C. | (1) ACD |
(1) Air a thomhas a 'cleachdadh leasachadh ceimigeachd adhartach (ACD / LABS) Bathar-bog V11.02 (© 1994-2023 ACD / LAìoban)
Dùmhlachd
Seilbh | Luach | Suidheachadh | Stòr |
Dùmhlachd | 1.343 ± 0.06 G / cm3 | Temp: 20 ° C; Brùth: 760 Torr | (1) ACD |
Tomhas-lìonaidh molar | 406.9 ± 3.0 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)
Lipinski
Seilbh | Luach | Suidheachadh | Stòr |
Bannan gu tur ro-bheathaichte | 11 | (1) ACD | |
Hrrairean | 10 | (1) ACD | |
Hnors her | 3 | (1) ACD | |
H tabhartaiche / geurraiche suim | 13 | (1) ACD | |
logp | 4.192 ± 0.628 | Temp: 25 ° C. | (1) ACD |
Seilbh | Luach | Suidheachadh | Stòr |
Cuideam molecular | 546.57 |
(1) Air a thomhas a 'cleachdadh leasachadh ceimigeachd adhartach (ACD / LABS) Bathar-bog V11.02 (© 1994-2023 ACD / LAìoban)
Structar co-cheangailte
Seilbh | Luach | Suidheachadh | Stòr |
Raon uachdar pòla | 127 A2 | (1) ACD |
(1) Air a thomhas a 'cleachdadh leasachadh ceimigeachd adhartach (ACD / LABS) Bathar-bog V11.02 (© 1994-2023 ACD / LAìoban)
Spectra ri fhaighinn
1h nmr
13c nmr