ChemSpider 2D Image | (3beta,22E)-Stigmasta-5,22-dien-3-yl 2-O-beta-D-glucopyranosyl-beta-D-xylopyranoside | C40H66O10

(3β,22E)-Stigmasta-5,22-dien-3-yl 2-O-β-D-glucopyranosyl-β-D-xylopyranoside

  • Molecular FormulaC40H66O10
  • Average mass706.946 Da
  • Monoisotopic mass706.465576 Da
  • ChemSpider ID30813255
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 18 of 18 defined stereocentres


More details:






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

(3β,22E)-Stigmasta-5,22-dien-3-yl 2-O-β-D-glucopyranosyl-β-D-xylopyranoside [ACD/IUPAC Name]
(3β,22E)-Stigmasta-5,22-dien-3-yl-2-O-β-D-glucopyranosyl-β-D-xylopyranosid [German] [ACD/IUPAC Name]
2-O-β-D-Glucopyranosyl-β-D-xylopyranoside de (3β,22E)-stigmasta-5,22-dién-3-yle [French] [ACD/IUPAC Name]
β-D-Xylopyranoside, (3β,22E)-stigmasta-5,22-dien-3-yl 2-O-β-D-glucopyranosyl- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 802.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.4 mmHg at 25°C
Enthalpy of Vaporization: 132.9±6.0 kJ/mol
Flash Point: 439.3±34.3 °C
Index of Refraction: 1.580
Molar Refractivity: 190.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 4
ACD/LogP: 7.91
ACD/LogD (pH 5.5): 5.85
ACD/BCF (pH 5.5): 16392.36
ACD/KOC (pH 5.5): 36176.61
ACD/LogD (pH 7.4): 5.85
ACD/BCF (pH 7.4): 16392.18
ACD/KOC (pH 7.4): 36176.21
Polar Surface Area: 158 Å2
Polarizability: 75.5±0.5 10-24cm3
Surface Tension: 56.6±5.0 dyne/cm
Molar Volume: 572.0±5.0 cm3

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