ChemSpider 2D Image | (2S)-2-[(3R,5S,6R,7R,8S,10S,13R,14S,17S)-6-Ethyl-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl {[4-(1H-tetrazol-1-yl)phenyl]sulfonyl}carbamate (non-preferred name) | C32H47N5O6S

(2S)-2-[(3R,5S,6R,7R,8S,10S,13R,14S,17S)-6-Ethyl-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl {[4-(1H-tetrazol-1-yl)phenyl]sulfonyl}carbamate (non-preferred name)

  • Molecular FormulaC32H47N5O6S
  • Average mass629.810 Da
  • Monoisotopic mass629.324707 Da
  • ChemSpider ID129098710

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(2S)-2-[(3R,5S,6R,7R,8S,10S,13R,14S,17S)-6-Ethyl-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl {[4-(1H-tetrazol-1-yl)phenyl]sulfonyl}carbamate (non-preferred name) [ACD/IUPAC Name]
(2S)-2-[(3R,5S,6R,7R,8S,10S,13R,14S,17S)-6-Ethyl-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl-{[4-(1H-tetrazol-1-yl)phenyl]sulfonyl}carbamat (non-preferred name) [German] [ACD/IUPAC Name]
{[4-(1H-Tétrazol-1-yl)phényl]sulfonyl}carbamate de (2S)-2-[(3R,5S,6R,7R,8S,10S,13R,14S,17S)-6-éthyl-3,7-dihydroxy-10,13-diméthylhexadécahydro-1H-cyclopenta[a]phénanthrén-17-yl]propyle (non-preferred n ame) [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.691
Molar Refractivity: 164.9±0.5 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 5.18
ACD/LogD (pH 5.5): 2.31
ACD/BCF (pH 5.5): 14.56
ACD/KOC (pH 5.5): 88.67
ACD/LogD (pH 7.4): 1.82
ACD/BCF (pH 7.4): 4.73
ACD/KOC (pH 7.4): 28.84
Polar Surface Area: 165 Å2
Polarizability: 65.4±0.5 10-24cm3
Surface Tension: 58.3±7.0 dyne/cm
Molar Volume: 431.1±7.0 cm3

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