ChemSpider 2D Image | (1S,3R,5Z,7E)-1-Hydroxy-9,10-secocholesta-5,7,10-trien-3-yl 4-O-beta-D-glucopyranosyl-beta-D-glucopyranoside | C39H64O12

(1S,3R,5Z,7E)-1-Hydroxy-9,10-secocholesta-5,7,10-trien-3-yl 4-O-β-D-glucopyranosyl-β-D-glucopyranoside

  • Molecular FormulaC39H64O12
  • Average mass724.918 Da
  • Monoisotopic mass724.439758 Da
  • ChemSpider ID24823381

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 16 of 16 defined stereocentres

More details:

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

(1S,3R,5Z,7E)-1-Hydroxy-9,10-secocholesta-5,7,10-trien-3-yl 4-O-β-D-glucopyranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
(1S,3R,5Z,7E)-1-Hydroxy-9,10-secocholesta-5,7,10-trien-3-yl-4-O-β-D-glucopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4-O-β-D-Glucopyranosyl-β-D-glucopyranoside de (1S,3R,5Z,7E)-1-hydroxy-9,10-sécocholesta-5,7,10-trién-3-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (1R,3Z,5S)-3-[(2E)-2-[(1R,3aS,7aR)-1-(1,5-dimethylhexyl)octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-5-hydroxy-4-methylenecyclohexyl 4-O-β-D-glucopyranosyl- [ACD/Index Name]
(5Z,7E)-(1S,3R)-9,10-seco-5,7,10(19)-cholestatrien-3-cellobioside
1-Hydroxyvitamin D3 cellobioside

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

Density: 1.3±0.1 g/cm3
Boiling Point: 871.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 143.9±6.0 kJ/mol
Flash Point: 480.7±34.3 °C
Index of Refraction: 1.591
Molar Refractivity: 190.2±0.4 cm3
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 4
ACD/LogP: 5.86
ACD/LogD (pH 5.5): 4.16
ACD/BCF (pH 5.5): 849.60
ACD/KOC (pH 5.5): 4348.45
ACD/LogD (pH 7.4): 4.16
ACD/BCF (pH 7.4): 849.59
ACD/KOC (pH 7.4): 4348.39
Polar Surface Area: 199 Å2
Polarizability: 75.4±0.5 10-24cm3
Surface Tension: 61.9±5.0 dyne/cm
Molar Volume: 563.0±5.0 cm3

Click to predict properties on the Chemicalize site


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