ChemSpider 2D Image | (3beta,15beta,22E)-3-Hydroxy-16-oxoergosta-5,22-dien-15-yl pentopyranoside | C33H52O7

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

  • Molecular FormulaC33H52O7
  • Average mass560.762 Da
  • Monoisotopic mass560.371277 Da
  • ChemSpider ID27026565

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 14 defined stereocentres

More details:

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

(3β,15β,22E)-3-Hydroxy-16-oxoergosta-5,22-dien-15-yl pentopyranoside [ACD/IUPAC Name]
(3β,15β,22E)-3-Hydroxy-16-oxoergosta-5,22-dien-15-ylpentopyranosid [German] [ACD/IUPAC Name]
Ergosta-5,22-dien-16-one, 3-hydroxy-15-(pentopyranosyloxy)-, (3β,15β,22E)- [ACD/Index Name]
Pentopyranoside de (3β,15β,22E)-3-hydroxy-16-oxoergosta-5,22-dién-15-yle [French] [ACD/IUPAC Name]
acanthifolioside A

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

Density: 1.2±0.1 g/cm3
Boiling Point: 682.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 114.5±6.0 kJ/mol
Flash Point: 210.6±25.0 °C
Index of Refraction: 1.573
Molar Refractivity: 153.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 6.66
ACD/LogD (pH 5.5): 5.21
ACD/BCF (pH 5.5): 5404.84
ACD/KOC (pH 5.5): 16350.01
ACD/LogD (pH 7.4): 5.21
ACD/BCF (pH 7.4): 5404.81
ACD/KOC (pH 7.4): 16349.92
Polar Surface Area: 116 Å2
Polarizability: 60.9±0.5 10-24cm3
Surface Tension: 52.5±5.0 dyne/cm
Molar Volume: 466.7±5.0 cm3

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