ChemSpider 2D Image | pennogenin | C27H42O4

pennogenin

  • Molecular FormulaC27H42O4
  • Average mass430.620 Da
  • Monoisotopic mass430.308319 Da
  • ChemSpider ID23253323

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(3β,25R)-Spirost-5-en-3,17-diol [ACD/IUPAC Name]
(3β,25R)-Spirost-5-en-3,17-diol [German] [ACD/IUPAC Name]
(3β,25R)-Spirost-5-én-3,17-diol [French] [ACD/IUPAC Name]
pennogenin
Spirost-5-en-3,17-diol, (3β,25R)- [ACD/Index Name]
(1R,2S,4S,5'R,6R,7S,8S,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-8,16-diol
(25R)-spirost-5-en-3β,17α-diol
(25r)-spirost-5-ene-3??,17??-diol
(25R)-spirost-5-ene-3β,17-diol
507-89-1 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 565.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.5±6.0 kJ/mol
Flash Point: 295.5±30.1 °C
Index of Refraction: 1.579
Molar Refractivity: 120.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 5.03
ACD/LogD (pH 5.5): 4.92
ACD/BCF (pH 5.5): 3228.07
ACD/KOC (pH 5.5): 11305.66
ACD/LogD (pH 7.4): 4.92
ACD/BCF (pH 7.4): 3228.07
ACD/KOC (pH 7.4): 11305.66
Polar Surface Area: 59 Å2
Polarizability: 47.9±0.5 10-24cm3
Surface Tension: 49.3±5.0 dyne/cm
Molar Volume: 364.0±5.0 cm3

Click to predict properties on the Chemicalize site


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