ChemSpider 2D Image | (1beta,3beta,7beta,9xi,16beta,22S)-3,7,16,22-Tetrahydroxycholest-5-en-1-yl D-glucopyranoside | C33H56O10

(1β,3β,7β,9ξ,16β,22S)-3,7,16,22-Tetrahydroxycholest-5-en-1-yl D-glucopyranoside

  • Molecular FormulaC33H56O10
  • Average mass612.792 Da
  • Monoisotopic mass612.387329 Da
  • ChemSpider ID28289745

  • defined stereocentres - 15 of 17 defined stereocentres

More details:

Featured data source
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(1β,3β,7β,9ξ,16β,22S)-3,7,16,22-Tetrahydroxycholest-5-en-1-yl D-glucopyranoside [ACD/IUPAC Name]
(1β,3β,7β,9ξ,16β,22S)-3,7,16,22-Tetrahydroxycholest-5-en-1-yl-D-glucopyranosid [German] [ACD/IUPAC Name]
D-Glucopyranoside de (1β,3β,7β,9ξ,16β,22S)-3,7,16,22-tétrahydroxycholest-5-én-1-yle [French] [ACD/IUPAC Name]
D-Glucopyranoside, (1β,3β,7β,9ξ,16β,22S)-3,7,16,22-tetrahydroxycholest-5-en-1-yl [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 785.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.2 mmHg at 25°C
Enthalpy of Vaporization: 130.2±6.0 kJ/mol
Flash Point: 428.7±32.9 °C
Index of Refraction: 1.600
Molar Refractivity: 159.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 8
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 0.26
ACD/LogD (pH 5.5): 0.60
ACD/BCF (pH 5.5): 1.67
ACD/KOC (pH 5.5): 50.34
ACD/LogD (pH 7.4): 0.60
ACD/BCF (pH 7.4): 1.67
ACD/KOC (pH 7.4): 50.34
Polar Surface Area: 180 Å2
Polarizability: 63.3±0.5 10-24cm3
Surface Tension: 64.7±5.0 dyne/cm
Molar Volume: 467.2±5.0 cm3

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