ChemSpider 2D Image | (3R)-3-[(3R,5S,6R,7R,8S,10S,13R,14S,17S)-6-Ethyl-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]butyl [(1-methyl-1H-pyrazol-4-yl)sulfonyl]carbamate (non-preferred name) | C30H49N3O6S

(3R)-3-[(3R,5S,6R,7R,8S,10S,13R,14S,17S)-6-Ethyl-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]butyl [(1-methyl-1H-pyrazol-4-yl)sulfonyl]carbamate (non-preferred name)

  • Molecular FormulaC30H49N3O6S
  • Average mass579.792 Da
  • Monoisotopic mass579.334229 Da
  • ChemSpider ID129098759

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(3R)-3-[(3R,5S,6R,7R,8S,10S,13R,14S,17S)-6-Ethyl-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]butyl [(1-methyl-1H-pyrazol-4-yl)sulfonyl]carbamate (non-preferred name) [ACD/IUPAC Name]
(3R)-3-[(3R,5S,6R,7R,8S,10S,13R,14S,17S)-6-Ethyl-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]butyl-[(1-methyl-1H-pyrazol-4-yl)sulfonyl]carbamat (non-preferred name) [German] [ACD/IUPAC Name]
[(1-Méthyl-1H-pyrazol-4-yl)sulfonyl]carbamate de (3R)-3-[(3R,5S,6R,7R,8S,10S,13R,14S,17S)-6-éthyl-3,7-dihydroxy-10,13-diméthylhexadécahydro-1H-cyclopenta[a]phénanthrén-17-yl]butyle (non-preferred name ) [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.649
Molar Refractivity: 152.0±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.18
ACD/LogD (pH 5.5): 3.32
ACD/BCF (pH 5.5): 117.42
ACD/KOC (pH 5.5): 573.96
ACD/LogD (pH 7.4): 2.31
ACD/BCF (pH 7.4): 11.51
ACD/KOC (pH 7.4): 56.24
Polar Surface Area: 139 Å2
Polarizability: 60.2±0.5 10-24cm3
Surface Tension: 52.2±7.0 dyne/cm
Molar Volume: 417.4±7.0 cm3

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