ChemSpider 2D Image | (3beta,20R)-20-[(5S)-5-Methyl-3,4,5,6-tetrahydro-2-pyridinyl]pregn-5-en-3-ol | C27H43NO

(3β,20R)-20-[(5S)-5-Methyl-3,4,5,6-tetrahydro-2-pyridinyl]pregn-5-en-3-ol

  • Molecular FormulaC27H43NO
  • Average mass397.636 Da
  • Monoisotopic mass397.334473 Da
  • ChemSpider ID24690523

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3β,20R)-20-[(5S)-5-Methyl-3,4,5,6-tetrahydro-2-pyridinyl]pregn-5-en-3-ol [German] [ACD/IUPAC Name]
(3β,20R)-20-[(5S)-5-Methyl-3,4,5,6-tetrahydro-2-pyridinyl]pregn-5-en-3-ol [ACD/IUPAC Name]
(3β,20R)-20-[(5S)-5-Méthyl-3,4,5,6-tétrahydro-2-pyridinyl]prégn-5-én-3-ol [French] [ACD/IUPAC Name]
Pregn-5-en-3-ol, 20-[(5S)-3,4,5,6-tetrahydro-5-methyl-2-pyridinyl]-, (3β,20R)- [ACD/Index Name]
(20R,25S)-22,26-iminocholesta-5,22(N)-dien-3β-ol
20-epi-Verazine
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL458682/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 510.9±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 90.0±6.0 kJ/mol
Flash Point: 341.7±11.9 °C
Index of Refraction: 1.628
Molar Refractivity: 118.5±0.5 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 8.49
ACD/LogD (pH 5.5): 5.39
ACD/BCF (pH 5.5): 2559.78
ACD/KOC (pH 5.5): 2764.04
ACD/LogD (pH 7.4): 6.55
ACD/BCF (pH 7.4): 37032.58
ACD/KOC (pH 7.4): 39987.69
Polar Surface Area: 33 Å2
Polarizability: 47.0±0.5 10-24cm3
Surface Tension: 41.7±7.0 dyne/cm
Molar Volume: 333.7±7.0 cm3

Click to predict properties on the Chemicalize site


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