ChemSpider 2D Image | (5E,7E)-1-Hydroxy-9,10-secocholesta-5,7,10-trien-3-yl 4-O-hexopyranosylhexopyranoside | C39H64O12

(5E,7E)-1-Hydroxy-9,10-secocholesta-5,7,10-trien-3-yl 4-O-hexopyranosylhexopyranoside

  • Molecular FormulaC39H64O12
  • Average mass724.918 Da
  • Monoisotopic mass724.439758 Da
  • ChemSpider ID57487140

  • Double-bond stereo - Double-bond stereo

More details:

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

(5E,7E)-1-Hydroxy-9,10-secocholesta-5,7,10-trien-3-yl 4-O-hexopyranosylhexopyranoside [ACD/IUPAC Name]
(5E,7E)-1-Hydroxy-9,10-secocholesta-5,7,10-trien-3-yl-4-O-hexopyranosylhexopyranosid [German] [ACD/IUPAC Name]
4-O-Hexopyranosylhexopyranoside de (5E,7E)-1-hydroxy-9,10-sécocholesta-5,7,10-trién-3-yle [French] [ACD/IUPAC Name]
Hexopyranoside, (3E)-3-[(2E)-2-[1-(1,5-dimethylhexyl)octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-5-hydroxy-4-methylenecyclohexyl 4-O-hexopyranosyl- [ACD/Index Name]
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

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