ChemSpider 2D Image | verrucoside | C30H48O7

verrucoside

  • Molecular FormulaC30H48O7
  • Average mass520.698 Da
  • Monoisotopic mass520.340027 Da
  • ChemSpider ID24708055

  • defined stereocentres - 14 of 14 defined stereocentres

More details:

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

(3β,4β,5β)-3-Hydroxypregn-20-en-4-yl 2-O-acetyl-6-deoxy-3-O-methyl-α-L-galactopyranoside [ACD/IUPAC Name]
(3β,4β,5β)-3-Hydroxypregn-20-en-4-yl-2-O-acetyl-6-desoxy-3-O-methyl-α-L-galactopyranosid [German] [ACD/IUPAC Name]
141544-59-4 [RN]
2-O-Acétyl-6-désoxy-3-O-méthyl-α-L-galactopyranoside de (3β,4β,5β)-3-hydroxyprégn-20-én-4-yle [French] [ACD/IUPAC Name]
verrucoside
α-L-Galactopyranoside, (3β,4β,5β)-3-hydroxypregn-20-en-4-yl 6-deoxy-3-O-methyl-, 2-acetate [ACD/Index Name]
4-β-O-(2-O-Acetyl-α-L-digitalopyranosyl)-5β-pregn-20-en-3-ol
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL500052/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 599.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 102.4±6.0 kJ/mol
Flash Point: 185.5±23.6 °C
Index of Refraction: 1.545
Molar Refractivity: 140.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 6.77
ACD/LogD (pH 5.5): 5.58
ACD/BCF (pH 5.5): 10254.65
ACD/KOC (pH 5.5): 25858.70
ACD/LogD (pH 7.4): 5.58
ACD/BCF (pH 7.4): 10254.63
ACD/KOC (pH 7.4): 25858.64
Polar Surface Area: 94 Å2
Polarizability: 55.7±0.5 10-24cm3
Surface Tension: 46.9±5.0 dyne/cm
Molar Volume: 444.1±5.0 cm3

Click to predict properties on the Chemicalize site


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