ChemSpider 2D Image | VERALKAMINE | C27H43NO2

VERALKAMINE

  • Molecular FormulaC27H43NO2
  • Average mass413.636 Da
  • Monoisotopic mass413.329376 Da
  • ChemSpider ID28475382

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

Featured data source
The Merck Index Online

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

(3β,16β,17α,20S)-17-Methyl-20-[(2S,5S)-5-methyl-2-piperidinyl]-18-norpregna-5,12-dien-3,16-diol [German] [ACD/IUPAC Name]
(3β,16β,17α,20S)-17-Methyl-20-[(2S,5S)-5-methyl-2-piperidinyl]-18-norpregna-5,12-diene-3,16-diol [ACD/IUPAC Name]
(3β,16β,17α,20S)-17-Méthyl-20-[(2S,5S)-5-méthyl-2-pipéridinyl]-18-norprégna-5,12-diène-3,16-diol [French] [ACD/IUPAC Name]
17155-31-6 [RN]
Gona-5,12-diene-3,16-diol, 10,17-dimethyl-17-[(1S)-1-[(2S,5S)-5-methyl-2-piperidinyl]ethyl]-, (3β,16β,17α)- [ACD/Index Name]
VERALKAMINE
(17S,20S)-17-Methyl-20-[(2S,5S)-5-methyl-2-piperidyl]-18-norpregna-5,12-diene-3β,16β-diol

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

B3E05ZZ3JH [DBID]
UNII:B3E05ZZ3JH [DBID]
UNII-B3E05ZZ3JH [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 556.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 96.3±6.0 kJ/mol
Flash Point: 71.4±20.7 °C
Index of Refraction: 1.576
Molar Refractivity: 122.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.32
ACD/LogD (pH 5.5): 2.23
ACD/BCF (pH 5.5): 5.25
ACD/KOC (pH 5.5): 15.07
ACD/LogD (pH 7.4): 2.60
ACD/BCF (pH 7.4): 12.42
ACD/KOC (pH 7.4): 35.66
Polar Surface Area: 52 Å2
Polarizability: 48.7±0.5 10-24cm3
Surface Tension: 46.7±5.0 dyne/cm
Molar Volume: 371.2±5.0 cm3

Click to predict properties on the Chemicalize site


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