ChemSpider 2D Image | (3beta)-Stigmasta-5,22-dien-3-yl (3xi)-beta-D-xylo-hexopyranoside | C35H58O6

(3β)-Stigmasta-5,22-dien-3-yl (3ξ)-β-D-xylo-hexopyranoside

  • Molecular FormulaC35H58O6
  • Average mass574.831 Da
  • Monoisotopic mass574.423340 Da
  • ChemSpider ID67168166

  • defined stereocentres - 13 of 14 defined stereocentres

More details:

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

(3β)-Stigmasta-5,22-dien-3-yl (3ξ)-β-D-xylo-hexopyranoside [ACD/IUPAC Name]
(3β)-Stigmasta-5,22-dien-3-yl-(3ξ)-β-D-xylo-hexopyranosid [German] [ACD/IUPAC Name]
(3ξ)-β-D-xylo-Hexopyranoside de (3β)-stigmasta-5,22-dién-3-yle [French] [ACD/IUPAC Name]
β-D-xylo-Hexopyranoside, (3β)-stigmasta-5,22-dien-3-yl, (3ξ)- [ACD/Index Name]
3-O-??-d-glucopyranosyl-stigmasterol

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

Density: 1.1±0.1 g/cm3
Boiling Point: 673.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 113.2±6.0 kJ/mol
Flash Point: 361.2±31.5 °C
Index of Refraction: 1.562
Molar Refractivity: 162.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 8.26
ACD/LogD (pH 5.5): 6.79
ACD/BCF (pH 5.5): 85574.05
ACD/KOC (pH 5.5): 118072.90
ACD/LogD (pH 7.4): 6.79
ACD/BCF (pH 7.4): 85573.48
ACD/KOC (pH 7.4): 118072.13
Polar Surface Area: 99 Å2
Polarizability: 64.6±0.5 10-24cm3
Surface Tension: 49.4±5.0 dyne/cm
Molar Volume: 502.0±5.0 cm3

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