ChemSpider 2D Image | (3beta,5alpha,22E,24xi)-Ergosta-7,22-dien-3-yl beta-D-xylopyranoside | C33H54O5

(3β,5α,22E,24ξ)-Ergosta-7,22-dien-3-yl β-D-xylopyranoside

  • Molecular FormulaC33H54O5
  • Average mass530.779 Da
  • Monoisotopic mass530.397095 Da
  • ChemSpider ID29216471

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 12 of 13 defined stereocentres

More details:

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

(3β,5α,22E,24ξ)-Ergosta-7,22-dien-3-yl β-D-xylopyranoside [ACD/IUPAC Name]
(3β,5α,22E,24ξ)-Ergosta-7,22-dien-3-yl-β-D-xylopyranosid [German] [ACD/IUPAC Name]
β-D-Xylopyranoside de (3β,5α,22E,24ξ)-ergosta-7,22-dién-3-yle [French] [ACD/IUPAC Name]
β-D-Xylopyranoside, (3β,5α,22E,24ξ)-ergosta-7,22-dien-3-yl [ACD/Index Name]
24-methylcholestadiene-O-xylopyranoside

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

Density: 1.1±0.1 g/cm3
Boiling Point: 625.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 106.1±6.0 kJ/mol
Flash Point: 331.9±31.5 °C
Index of Refraction: 1.557
Molar Refractivity: 152.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 9.92
ACD/LogD (pH 5.5): 8.01
ACD/BCF (pH 5.5): 716805.00
ACD/KOC (pH 5.5): 540587.88
ACD/LogD (pH 7.4): 8.01
ACD/BCF (pH 7.4): 716801.06
ACD/KOC (pH 7.4): 540584.88
Polar Surface Area: 79 Å2
Polarizability: 60.3±0.5 10-24cm3
Surface Tension: 47.0±5.0 dyne/cm
Molar Volume: 472.1±5.0 cm3

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