ChemSpider 2D Image | (3beta,11alpha,16beta,22S)-3,11,22-Trihydroxycholesta-5,24-dien-16-yl 2,3-di-O-acetyl-6-deoxy-alpha-L-mannopyranoside | C37H58O10

(3β,11α,16β,22S)-3,11,22-Trihydroxycholesta-5,24-dien-16-yl 2,3-di-O-acetyl-6-deoxy-α-L-mannopyranoside

  • Molecular FormulaC37H58O10
  • Average mass662.850 Da
  • Monoisotopic mass662.403015 Da
  • ChemSpider ID57641789
  • defined stereocentres - 16 of 16 defined stereocentres


More details:






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

(3β,11α,16β,22S)-3,11,22-Trihydroxycholesta-5,24-dien-16-yl 2,3-di-O-acetyl-6-deoxy-α-L-mannopyranoside [ACD/IUPAC Name]
(3β,11α,16β,22S)-3,11,22-Trihydroxycholesta-5,24-dien-16-yl-2,3-di-O-acetyl-6-desoxy-α-L-mannopyranosid [German] [ACD/IUPAC Name]
2,3-Di-O-acétyl-6-désoxy-α-L-mannopyranoside de (3β,11α,16β,22S)-3,11,22-trihydroxycholesta-5,24-dién-16-yle [French] [ACD/IUPAC Name]
α-L-Mannopyranoside, (3β,11α,16β,22S)-3,11,22-trihydroxycholesta-5,24-dien-16-yl 6-deoxy-, 2,3-diacetate [ACD/Index Name]
(22S)-cholesta-5,24-diene-3[β],11[α],16[β],22-tetrol 16-O-(2,3-di-O-acetyl-[α]-L-rhamnopyranoside)
249924-41-2 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 749.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.7 mmHg at 25°C
Enthalpy of Vaporization: 124.6±6.0 kJ/mol
Flash Point: 223.6±26.4 °C
Index of Refraction: 1.564
Molar Refractivity: 175.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 4.45
ACD/LogD (pH 5.5): 4.41
ACD/BCF (pH 5.5): 1325.43
ACD/KOC (pH 5.5): 5978.36
ACD/LogD (pH 7.4): 4.41
ACD/BCF (pH 7.4): 1325.43
ACD/KOC (pH 7.4): 5978.34
Polar Surface Area: 152 Å2
Polarizability: 69.6±0.5 10-24cm3
Surface Tension: 53.0±5.0 dyne/cm
Molar Volume: 539.8±5.0 cm3

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