ChemSpider 2D Image | (1beta,3beta,5alpha,16beta,22S)-1-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-3,22-dihydroxycholestan-16-yl 6-O-acetyl-beta-D-glucopyranoside | C41H70O14

(1β,3β,5α,16β,22S)-1-[(6-Deoxy-α-L-mannopyranosyl)oxy]-3,22-dihydroxycholestan-16-yl 6-O-acetyl-β-D-glucopyranoside

  • Molecular FormulaC41H70O14
  • Average mass786.986 Da
  • Monoisotopic mass786.476563 Da
  • ChemSpider ID24710181
  • defined stereocentres - 22 of 22 defined stereocentres


More details:






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

(1β,3β,5α,16β,22S)-1-[(6-Deoxy-α-L-mannopyranosyl)oxy]-3,22-dihydroxycholestan-16-yl 6-O-acetyl-β-D-glucopyranoside [ACD/IUPAC Name]
(1β,3β,5α,16β,22S)-1-[(6-Desoxy-α-L-mannopyranosyl)oxy]-3,22-dihydroxycholestan-16-yl-6-O-acetyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-Acétyl-β-D-glucopyranoside de (1β,3β,5α,16β,22S)-1-[(6-désoxy-α-L-mannopyranosyl)oxy]-3,22-dihydroxycholestan-16-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (1β,3β,5α,16β,22S)-1-[(6-deoxy-α-L-mannopyranosyl)oxy]-3,22-dihydroxycholestan-16-yl, 6-acetate [ACD/Index Name]
(22S)-16[β]-[(6-O-acetyl-[β]-D-glucopyranosyl)oxy]-3[β],22-dihydroxy-5[α]-cholestan-1[β]-yl [α]-L-rhamnopyranoside
142182-47-6 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 865.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 142.9±6.0 kJ/mol
Flash Point: 252.0±27.8 °C
Index of Refraction: 1.581
Molar Refractivity: 200.3±0.4 cm3
#H bond acceptors: 14
#H bond donors: 8
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 4
ACD/LogP: 5.50
ACD/LogD (pH 5.5): 3.04
ACD/BCF (pH 5.5): 120.43
ACD/KOC (pH 5.5): 1074.02
ACD/LogD (pH 7.4): 3.04
ACD/BCF (pH 7.4): 120.43
ACD/KOC (pH 7.4): 1074.00
Polar Surface Area: 225 Å2
Polarizability: 79.4±0.5 10-24cm3
Surface Tension: 62.4±5.0 dyne/cm
Molar Volume: 600.7±5.0 cm3

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