ChemSpider 2D Image | β-D-Glucopyranoside, (3β,24R)-ergost-5-en-3-yl, 6-[(9Z)-9-octadecenoate] | C52H90O7

β-D-Glucopyranoside, (3β,24R)-ergost-5-en-3-yl, 6-[(9Z)-9-octadecenoate]

  • Molecular FormulaC52H90O7
  • Average mass827.267 Da
  • Monoisotopic mass826.668640 Da
  • ChemSpider ID103885025

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 14 of 14 defined stereocentres

More details:

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

(3β,24R)-Ergost-5-en-3-yl 6-O-[(9Z)-9-octadecenoyl]-β-D-glucopyranoside [ACD/IUPAC Name]
(3β,24R)-Ergost-5-en-3-yl-6-O-[(9Z)-9-octadecenoyl]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-[(9Z)-9-Octadecenoyl]-β-D-glucopyranoside de (3β,24R)-ergost-5-én-3-yle [French] [ACD/IUPAC Name]
87168-08-9 [RN]
β-D-Glucopyranoside, (3β,24R)-ergost-5-en-3-yl, 6-[(9Z)-9-octadecenoate]
β-D-Glucopyranoside, (3β,24R)-ergost-5-en-3-yl 6-O-[(9Z)-1-oxo-9-octadecen-1-yl]- [ACD/Index Name]
18:1-Glc-Campesterol
3-O-(6'-O-(9Z-octadecenoyl)-β-D-glucopyranosyl)-campest-5-en-3β-ol

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

Density: 1.1±0.1 g/cm3
Boiling Point: 823.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 136.2±6.0 kJ/mol
Flash Point: 221.1±27.8 °C
Index of Refraction: 1.533
Molar Refractivity: 241.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 25
#Rule of 5 Violations: 2
ACD/LogP: 18.99
ACD/LogD (pH 5.5): 15.95
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 15.95
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 105 Å2
Polarizability: 95.9±0.5 10-24cm3
Surface Tension: 45.2±5.0 dyne/cm
Molar Volume: 779.5±5.0 cm3

Click to predict properties on the Chemicalize site


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