ChemSpider 2D Image | (25R)-17-Hydroxyspirost-5-en-3-yl 2-O-[(1R,2R,3R,4S,5R)-2,3,4-trihydroxy-5-methylcyclohexyl]-beta-D-glucopyranoside | C40H64O12

(25R)-17-Hydroxyspirost-5-en-3-yl 2-O-[(1R,2R,3R,4S,5R)-2,3,4-trihydroxy-5-methylcyclohexyl]-β-D-glucopyranoside

  • Molecular FormulaC40H64O12
  • Average mass736.929 Da
  • Monoisotopic mass736.439758 Da
  • ChemSpider ID54868907

  • defined stereocentres - 20 of 21 defined stereocentres

More details:

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

(25R)-17-Hydroxyspirost-5-en-3-yl 2-O-[(1R,2R,3R,4S,5R)-2,3,4-trihydroxy-5-methylcyclohexyl]-β-D-glucopyranoside [ACD/IUPAC Name]
(25R)-17-Hydroxyspirost-5-en-3-yl-2-O-[(1R,2R,3R,4S,5R)-2,3,4-trihydroxy-5-methylcyclohexyl]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
2-O-[(1R,2R,3R,4S,5R)-2,3,4-Trihydroxy-5-méthylcyclohexyl]-β-D-glucopyranoside de (25R)-17-hydroxyspirost-5-én-3-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (25R)-17-hydroxyspirost-5-en-3-yl 2-O-[(1R,2R,3R,4S,5R)-2,3,4-trihydroxy-5-methylcyclohexyl]- [ACD/Index Name]
55916-51-3 [RN]
Polyphyllin-VI

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

Density: 1.4±0.1 g/cm3
Boiling Point: 846.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 139.9±6.0 kJ/mol
Flash Point: 465.7±34.3 °C
Index of Refraction: 1.613
Molar Refractivity: 189.7±0.4 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 4
ACD/LogP: 5.45
ACD/LogD (pH 5.5): 4.49
ACD/BCF (pH 5.5): 1520.45
ACD/KOC (pH 5.5): 6595.61
ACD/LogD (pH 7.4): 4.49
ACD/BCF (pH 7.4): 1520.45
ACD/KOC (pH 7.4): 6595.57
Polar Surface Area: 188 Å2
Polarizability: 75.2±0.5 10-24cm3
Surface Tension: 65.8±5.0 dyne/cm
Molar Volume: 544.9±5.0 cm3

Click to predict properties on the Chemicalize site


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