ChemSpider 2D Image | 3,3-azo-17?-methyl-5?-androstan-17?-ol | C20H32N2O

3,3-azo-17?-methyl-5?-androstan-17?-ol

  • Molecular FormulaC20H32N2O
  • Average mass316.481 Da
  • Monoisotopic mass316.251465 Da
  • ChemSpider ID52084890

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(5S,8R,9S,10S,13S,14S,17S)-10,13,17-Trimethyl-1,2,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydrospiro[cyclopenta[a]phenanthrene-3,3'-diaziren]-17-ol [ACD/IUPAC Name]
2429-17-6 [RN]
3,3-azo-17?-methyl-5?-androstan-17?-ol
Spiro[3H-cyclopenta[a]phenanthrene-3,3'-[3H]diazirin]-17-ol, 1,2,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-10,13,17-trimethyl-, (5S,8R,9S,10S,13S,14S,17S)- [ACD/Index Name]
3,3-Azo-17α-methyl-5α-androstan-17β-ol
3,3-AZO-17α-METHYL-5α-ANDROSTAN-17β-OL

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

7AA03AP597 [DBID]
UNII:7AA03AP597 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 415.6±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 77.2±6.0 kJ/mol
Flash Point: 268.7±15.8 °C
Index of Refraction: 1.687
Molar Refractivity: 90.5±0.5 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 5.67
ACD/LogD (pH 5.5): 4.76
ACD/BCF (pH 5.5): 2427.88
ACD/KOC (pH 5.5): 9220.22
ACD/LogD (pH 7.4): 4.76
ACD/BCF (pH 7.4): 2427.88
ACD/KOC (pH 7.4): 9220.22
Polar Surface Area: 45 Å2
Polarizability: 35.9±0.5 10-24cm3
Surface Tension: 51.0±7.0 dyne/cm
Molar Volume: 237.5±7.0 cm3

Click to predict properties on the Chemicalize site


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