ChemSpider 2D Image | (3beta,16beta,22S)-16-[(3-O-Acetyl-6-deoxy-alpha-L-mannopyranosyl)oxy]-22-hydroxycholesta-5,24-dien-3-yl beta-D-glucopyranoside | C41H66O13

(3β,16β,22S)-16-[(3-O-Acetyl-6-deoxy-α-L-mannopyranosyl)oxy]-22-hydroxycholesta-5,24-dien-3-yl β-D-glucopyranoside

  • Molecular FormulaC41H66O13
  • Average mass766.955 Da
  • Monoisotopic mass766.450317 Da
  • ChemSpider ID9149926
  • 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-hydroxycholesta-5,24-dien-3-yl β-D-glucopyranoside [ACD/IUPAC Name]
(3β,16β,22S)-16-[(3-O-Acetyl-6-desoxy-α-L-mannopyranosyl)oxy]-22-hydroxycholesta-5,24-dien-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-hydroxycholesta-5,24-dién-3-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (3β,16β,22S)-16-[(3-O-acetyl-6-deoxy-α-L-mannopyranosyl)oxy]-22-hydroxycholesta-5,24-dien-3-yl [ACD/Index Name]
(22S)-3[β]-[([β]-D-glucopyranosyl)oxy]-22-hydroxycholesta-5,24-dien-16[β]-yl 3-O-acetyl-[α]-L-rhamnopyranoside
(22S)-3β-[(β-D-glucopyranosyl)oxy]-22-hydroxycholesta-5,24-dien-16β-yl 3-O-acetyl-α-L-rhamnopyranoside
263570-69-0 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 859.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 142.0±6.0 kJ/mol
Flash Point: 252.4±27.8 °C
Index of Refraction: 1.589
Molar Refractivity: 198.2±0.4 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 3.87
ACD/LogD (pH 5.5): 3.48
ACD/BCF (pH 5.5): 258.68
ACD/KOC (pH 5.5): 1856.38
ACD/LogD (pH 7.4): 3.48
ACD/BCF (pH 7.4): 258.68
ACD/KOC (pH 7.4): 1856.36
Polar Surface Area: 205 Å2
Polarizability: 78.6±0.5 10-24cm3
Surface Tension: 61.3±5.0 dyne/cm
Molar Volume: 588.1±5.0 cm3

Click to predict properties on the Chemicalize site






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