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Search term: AVFNYTPENXWWCA-BULFVYHESA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (3beta,5alpha,6beta)-6-{[2-(1H-Imidazol-5-yl)ethyl]amino}cholestane-3,5-diol | C32H55N3O2

(3β,5α,6β)-6-{[2-(1H-Imidazol-5-yl)ethyl]amino}cholestane-3,5-diol

  • Molecular FormulaC32H55N3O2
  • Average mass513.798 Da
  • Monoisotopic mass513.429443 Da
  • ChemSpider ID7982249

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(3β,5α,6β)-6-{[2-(1H-Imidazol-5-yl)ethyl]amino}cholestan-3,5-diol [German] [ACD/IUPAC Name]
(3β,5α,6β)-6-{[2-(1H-Imidazol-5-yl)ethyl]amino}cholestane-3,5-diol [ACD/IUPAC Name]
(3β,5α,6β)-6-{[2-(1H-Imidazol-5-yl)éthyl]amino}cholestane-3,5-diol [French] [ACD/IUPAC Name]
Cholestane-3,5-diol, 6-[[2-(1H-imidazol-5-yl)ethyl]amino]-, (3β,5α,6β)- [ACD/Index Name]
5α-hydroxy-6β-[2-(1H-imidazol-4-yl)-ethylamino]-cholestan-3β-ol
DENDROGENIN A

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

Density: 1.1±0.1 g/cm3
Boiling Point: 665.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.8±3.0 kJ/mol
Flash Point: 356.2±31.5 °C
Index of Refraction: 1.560
Molar Refractivity: 151.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 7.11
ACD/LogD (pH 5.5): 1.80
ACD/BCF (pH 5.5): 1.56
ACD/KOC (pH 5.5): 3.61
ACD/LogD (pH 7.4): 3.60
ACD/BCF (pH 7.4): 96.74
ACD/KOC (pH 7.4): 223.71
Polar Surface Area: 81 Å2
Polarizability: 59.9±0.5 10-24cm3
Surface Tension: 49.4±5.0 dyne/cm
Molar Volume: 467.5±5.0 cm3

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