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| CAS No.: | 5323-27-3 |
|---|---|
| Name: | 5alpha-Androst-1-en-3,17-diol |
| Molecular Structure: | |
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| Formula: | C19H30O2 |
| Molecular Weight: | 290.446 |
| Synonyms: | 5a-Androst-1-ene-3b,17b-diol (7CI,8CI); |
| Density: | 1.111g/cm3 |
| Melting Point: | 154-156 °C |
| Boiling Point: | 418 °C at 760 mmHg |
| Flash Point: | 188.8 °C |
| PSA: | 40.46000 |
| LogP: | 3.52690 |
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- Total:32 Page 1 of 1 1
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Specification
The 5alpha-Androst-1-en-3,17-diol with cas registry number of 5323-27-3, has the systematic name of androst-1-ene-3,17-diol, (5alpha)-. And it is also named androst-1-ene-3,17-diol, (5alpha)-.
Physical properties about this chemical are: (1)ACD/LogP: 3.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.97; (4)ACD/LogD (pH 7.4): 3.97; (5)ACD/BCF (pH 5.5): 614.17; (6)ACD/BCF (pH 7.4): 614.17; (7)ACD/KOC (pH 5.5): 3447.13; (8)ACD/KOC (pH 7.4): 3447.13; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 40.46 Å2; (13)Index of Refraction: 1.56; (14)Molar Refractivity: 84.55 cm3; (15)Molar Volume: 261.4 cm3; (16)Polarizability: 33.52×10-24cm3; (17)Surface Tension: 44.8 dyne/cm; (18)Enthalpy of Vaporization: 77.57 kJ/mol; (19)Vapour Pressure: 9.78E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2O)CC[C@@H]4[C@@]3(C=CC(C4)O)C;
(2)InChI: InChI=1/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h7,9,12-17,20-21H,3-6,8,10-11H2,1-2H3/t12-,13?,14-,15-,16-,17?,18-,19-/m0/s1;
(3)InChIKey: RZFGPAMUAXASRE-WZDBAGNOBW;
(4)Std. InChI: InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h7,9,12-17,20-21H,3-6,8,10-11H2,1-2H3/t12-,13?,14-,15-,16-,17?,18-,19-/m0/s1;
(5)Std. InChIKey: RZFGPAMUAXASRE-WZDBAGNOSA-N