Found 4 results

Search term: HDUDIWVTPSZRBL (Found by InChIKey (skeleton match))
ChemSpider 2D Image | CSID:23338857 | C29H46O6

  • Molecular FormulaC29H46O6
  • Average mass490.672 Da
  • Monoisotopic mass490.329437 Da
  • ChemSpider ID23338857

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(3β,5α,6α,11α)-3,5,19-Trihydroxy-9,11-epoxycholest-7-en-6-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (3β,5α,6α,11α)-3,5,19-trihydroxy-9,11-époxycholest-7-én-6-yle [French] [ACD/IUPAC Name]
(3β,5α,6α,11α)-3,5,19-Trihydroxy-9,11-epoxycholest-7-en-6-yl acetate [ACD/IUPAC Name]
9α,11α-epoxycholest-7-ene-3β,5α,6α,19-tetrol 6-acetate
Cholest-7-ene-3,5,6,19-tetrol, 9,11-epoxy-, 6-acetate, (3β,5α,6α,11α)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL495070/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 603.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 103.0±6.0 kJ/mol
Flash Point: 190.7±25.0 °C
Index of Refraction: 1.568
Molar Refractivity: 133.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.15
ACD/LogD (pH 5.5): 4.78
ACD/BCF (pH 5.5): 2548.92
ACD/KOC (pH 5.5): 9546.95
ACD/LogD (pH 7.4): 4.78
ACD/BCF (pH 7.4): 2548.91
ACD/KOC (pH 7.4): 9546.94
Polar Surface Area: 100 Å2
Polarizability: 53.1±0.5 10-24cm3
Surface Tension: 51.6±5.0 dyne/cm
Molar Volume: 409.0±5.0 cm3

Click to predict properties on the Chemicalize site


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