ChemSpider 2D Image | (3beta,16beta,22S)-16-[(3-O-Acetyl-6-deoxy-alpha-L-mannopyranosyl)oxy]-22-hydroxycholest-5-en-3-yl beta-D-glucopyranoside | C41H68O13

(3β,16β,22S)-16-[(3-O-Acetyl-6-deoxy-α-L-mannopyranosyl)oxy]-22-hydroxycholest-5-en-3-yl β-D-glucopyranoside

  • Molecular FormulaC41H68O13
  • Average mass768.971 Da
  • Monoisotopic mass768.466003 Da
  • ChemSpider ID9040884

  • defined stereocentres - 20 of 20 defined stereocentres

More details:

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

(3β,16β,22S)-16-[(3-O-Acetyl-6-deoxy-α-L-mannopyranosyl)oxy]-22-hydroxycholest-5-en-3-yl β-D-glucopyranoside [ACD/IUPAC Name]
(3β,16β,22S)-16-[(3-O-Acetyl-6-desoxy-α-L-mannopyranosyl)oxy]-22-hydroxycholest-5-en-3-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de (3β,16β,22S)-16-[(3-O-acétyl-6-désoxy-α-L-mannopyranosyl)oxy]-22-hydroxycholest-5-én-3-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (3β,16β,22S)-16-[(3-O-acetyl-6-deoxy-α-L-mannopyranosyl)oxy]-22-hydroxycholest-5-en-3-yl [ACD/Index Name]
(22S)-3[β]-[([β]-D-glucopyranosyl)oxy]-22-hydroxycholest-5-en-16[β]-yl 3-O-acetyl-[α]-L-rhamnopyranoside
263570-68-9 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 851.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 140.6±6.0 kJ/mol
Flash Point: 248.7±27.8 °C
Index of Refraction: 1.581
Molar Refractivity: 198.5±0.4 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 3.99
ACD/LogD (pH 5.5): 3.54
ACD/BCF (pH 5.5): 290.43
ACD/KOC (pH 5.5): 2016.72
ACD/LogD (pH 7.4): 3.54
ACD/BCF (pH 7.4): 290.42
ACD/KOC (pH 7.4): 2016.69
Polar Surface Area: 205 Å2
Polarizability: 78.7±0.5 10-24cm3
Surface Tension: 60.3±5.0 dyne/cm
Molar Volume: 595.5±5.0 cm3

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