ChemSpider 2D Image | (3beta,15beta,16beta,22E)-3,16-Dihydroxyergosta-5,22-dien-15-yl pentopyranoside | C33H54O7

(3β,15β,16β,22E)-3,16-Dihydroxyergosta-5,22-dien-15-yl pentopyranoside

  • Molecular FormulaC33H54O7
  • Average mass562.778 Da
  • Monoisotopic mass562.386963 Da
  • ChemSpider ID27026566

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 11 of 15 defined stereocentres

More details:

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

(3β,15β,16β,22E)-3,16-Dihydroxyergosta-5,22-dien-15-yl pentopyranoside [ACD/IUPAC Name]
(3β,15β,16β,22E)-3,16-Dihydroxyergosta-5,22-dien-15-ylpentopyranosid [German] [ACD/IUPAC Name]
Pentopyranoside de (3β,15β,16β,22E)-3,16-dihydroxyergosta-5,22-dién-15-yle [French] [ACD/IUPAC Name]
Pentopyranoside, (3β,15β,16β,22E)-3,16-dihydroxyergosta-5,22-dien-15-yl [ACD/Index Name]
acanthifolioside B

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

Density: 1.2±0.1 g/cm3
Boiling Point: 686.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 115.1±6.0 kJ/mol
Flash Point: 369.0±31.5 °C
Index of Refraction: 1.577
Molar Refractivity: 155.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 6.72
ACD/LogD (pH 5.5): 5.19
ACD/BCF (pH 5.5): 5209.49
ACD/KOC (pH 5.5): 15924.82
ACD/LogD (pH 7.4): 5.19
ACD/BCF (pH 7.4): 5209.47
ACD/KOC (pH 7.4): 15924.73
Polar Surface Area: 120 Å2
Polarizability: 61.5±0.5 10-24cm3
Surface Tension: 53.7±5.0 dyne/cm
Molar Volume: 467.7±5.0 cm3

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