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| CAS No.: | 510-75-8 |
|---|---|
| Name: | Gibberellin A7 |
| Article Data: | 6 |
| Cas Database | |
| Molecular Structure: | |
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| Formula: | C19H22O5 |
| Molecular Weight: | 330.381 |
| Synonyms: | 1H-7,9a-Methanobenz[a]azulene-1,10-dicarboxylicacid, 2,4a,4b,5,6,7,8,9,10,10a-decahydro-2,4a-dihydroxy-1-methyl-8-methylene-,1,4a-lactone (7CI);4aa,4bb-Gibb-3-ene-1a,10b-dicarboxylic acid, 2b,4a-dihydroxy-1-methyl-8-methylene-, 1,4a-lactone(8CI);Gibberellin A7 (6CI);4a,1-(Epoxymethano)-7,9a-methanobenz[a]azulene,gibb-3-ene-1,10-dicarboxylic acid deriv.;GA7; |
| EINECS: | 208-117-0 |
| Density: | 1.4 g/cm3 |
| Melting Point: | 252-255 °C |
| Boiling Point: | 582 °C at 760 mmHg |
| Flash Point: | 214.6 °C |
| PSA: | 83.83000 |
| LogP: | 1.91220 |
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Specification
The Gibberellin A7 with cas registry number of 510-75-8, whose systematic name is (1S,2S,4aR,4bR,7R,9aR,10S,10aR)-2-hydroxy-1-methyl-8-methylidene-13-oxo-1,2,4b,5,6,7,8,9,10,10a-decahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid. Its storage temperature is −20°C.
Physical properties about this chemical are: (1)ACD/LogP: 1.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.43; (4)ACD/LogD (pH 7.4): -1.34; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 10.05; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 61.83 Å2; (13)Index of Refraction: 1.636; (14)Molar Refractivity: 84.21 cm3; (15)Molar Volume: 234.8 cm3; (16)Polarizability: 33.38×10-24cm3; (17)Surface Tension: 62.4 dyne/cm; (18)Enthalpy of Vaporization: 99.91 kJ/mol; (19)Vapour Pressure: 5.72E-16 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES:O=C1O[C@@]52\C=C/[C@H](O)[C@@]1([C@H]5[C@H](C(=O)O)[C@]43[C@H]2CC[C@@H](C(=C)\C3)C4)C; (2)InChI:InChI=1/C19H22O5/c1-9-7-18-8-10(9)3-4-11(18)19-6-5-12(20)17(2,16(23)24-19)14(19)13(18)15(21)22/h5-6,10-14,20H,1,3-4,7-8H2,2H3,(H,21,22)/t10-,11-,12+,13-,14-,17-,18+,19-/m1/s1;
(3)InChIKey:SEEGHKWOBVVBTQ-NFMPGMCNBW;
(4)Std. InChI:InChI=1S/C19H22O5/c1-9-7-18-8-10(9)3-4-11(18)19-6-5-12(20)17(2,16(23)24-19)14(19)13(18)15(21)22/h5-6,10-14,20H,1,3-4,7-8H2,2H3,(H,21,22)/t10-,11-,12+,13-,14-,17-,18+,19-/m1/s1;
(5)Std. InChIKey:SEEGHKWOBVVBTQ-NFMPGMCNSA-N.