ChemSpider 2D Image | (3beta,11beta,16beta,22S)-3,11,22-Trihydroxycholest-5-en-16-yl 2-O-acetyl-6-deoxy-alpha-L-mannopyranoside | C35H58O9

(3β,11β,16β,22S)-3,11,22-Trihydroxycholest-5-en-16-yl 2-O-acetyl-6-deoxy-α-L-mannopyranoside

  • Molecular FormulaC35H58O9
  • Average mass622.830 Da
  • Monoisotopic mass622.408081 Da
  • ChemSpider ID8591888

  • defined stereocentres - 16 of 16 defined stereocentres

More details:

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

(3β,11β,16β,22S)-3,11,22-Trihydroxycholest-5-en-16-yl 2-O-acetyl-6-deoxy-α-L-mannopyranoside [ACD/IUPAC Name]
(3β,11β,16β,22S)-3,11,22-Trihydroxycholest-5-en-16-yl-2-O-acetyl-6-desoxy-α-L-mannopyranosid [German] [ACD/IUPAC Name]
2-O-Acétyl-6-désoxy-α-L-mannopyranoside de (3β,11β,16β,22S)-3,11,22-trihydroxycholest-5-én-16-yle [French] [ACD/IUPAC Name]
α-L-Mannopyranoside, (3β,11β,16β,22S)-3,11,22-trihydroxycholest-5-en-16-yl 6-deoxy-, 2-acetate [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 721.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 120.4±6.0 kJ/mol
Flash Point: 217.8±26.4 °C
Index of Refraction: 1.566
Molar Refractivity: 166.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 4.43
ACD/LogD (pH 5.5): 3.74
ACD/BCF (pH 5.5): 406.59
ACD/KOC (pH 5.5): 2565.88
ACD/LogD (pH 7.4): 3.74
ACD/BCF (pH 7.4): 406.58
ACD/KOC (pH 7.4): 2565.86
Polar Surface Area: 146 Å2
Polarizability: 65.9±0.5 10-24cm3
Surface Tension: 54.0±5.0 dyne/cm
Molar Volume: 509.8±5.0 cm3

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