ChemSpider 2D Image | (1beta,3beta,16beta,22S)-1-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-3,22-dihydroxycholesta-5,24-dien-16-yl beta-D-glucopyranoside | C39H64O13

(1β,3β,16β,22S)-1-[(6-Deoxy-α-L-mannopyranosyl)oxy]-3,22-dihydroxycholesta-5,24-dien-16-yl β-D-glucopyranoside

  • Molecular FormulaC39H64O13
  • Average mass740.918 Da
  • Monoisotopic mass740.434692 Da
  • ChemSpider ID9311507
  • defined stereocentres - 21 of 21 defined stereocentres


More details:






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

(1β,3β,16β,22S)-1-[(6-Deoxy-α-L-mannopyranosyl)oxy]-3,22-dihydroxycholesta-5,24-dien-16-yl β-D-glucopyranoside [ACD/IUPAC Name]
(1β,3β,16β,22S)-1-[(6-Desoxy-α-L-mannopyranosyl)oxy]-3,22-dihydroxycholesta-5,24-dien-16-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de (1β,3β,16β,22S)-1-[(6-désoxy-α-L-mannopyranosyl)oxy]-3,22-dihydroxycholesta-5,24-dién-16-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (1β,3β,16β,22S)-1-[(6-deoxy-α-L-mannopyranosyl)oxy]-3,22-dihydroxycholesta-5,24-dien-16-yl [ACD/Index Name]
(22S)-3[β],22-Dihydroxy-1[β]-[([α]-L-rhamnopyranosyl)oxy]cholest-5,24-dien-16[β]-yl [β]-D-glucopyranoside
263570-71-4 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 879.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 145.1±6.0 kJ/mol
Flash Point: 485.4±34.3 °C
Index of Refraction: 1.610
Molar Refractivity: 190.1±0.4 cm3
#H bond acceptors: 13
#H bond donors: 9
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 2.87
ACD/LogD (pH 5.5): 2.32
ACD/BCF (pH 5.5): 34.18
ACD/KOC (pH 5.5): 435.76
ACD/LogD (pH 7.4): 2.32
ACD/BCF (pH 7.4): 34.18
ACD/KOC (pH 7.4): 435.76
Polar Surface Area: 219 Å2
Polarizability: 75.4±0.5 10-24cm3
Surface Tension: 67.4±5.0 dyne/cm
Molar Volume: 548.5±5.0 cm3

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