ChemSpider 2D Image | (3beta,11alpha,16beta,22S)-3,11,22-Trihydroxycholest-5-en-16-yl 2,3-di-O-acetyl-6-deoxy-alpha-L-mannopyranoside | C37H60O10

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

  • Molecular FormulaC37H60O10
  • Average mass664.866 Da
  • Monoisotopic mass664.418640 Da
  • ChemSpider ID57641786
  • 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-Trihydroxycholest-5-en-16-yl 2,3-di-O-acetyl-6-deoxy-α-L-mannopyranoside [ACD/IUPAC Name]
(3β,11α,16β,22S)-3,11,22-Trihydroxycholest-5-en-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-trihydroxycholest-5-én-16-yle [French] [ACD/IUPAC Name]
α-L-Mannopyranoside, (3β,11α,16β,22S)-3,11,22-trihydroxycholest-5-en-16-yl 6-deoxy-, 2,3-diacetate [ACD/Index Name]
(22S)-cholest-5-ene-3[β],11[α],16[β],22-tetrol 16-O-(2,3-di-O-acetyl-[α]-L-rhamnopyranoside)
249924-38-7 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 740.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 123.3±6.0 kJ/mol
Flash Point: 219.8±26.4 °C
Index of Refraction: 1.556
Molar Refractivity: 175.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 4.58
ACD/LogD (pH 5.5): 4.35
ACD/BCF (pH 5.5): 1194.13
ACD/KOC (pH 5.5): 5548.21
ACD/LogD (pH 7.4): 4.35
ACD/BCF (pH 7.4): 1194.13
ACD/KOC (pH 7.4): 5548.19
Polar Surface Area: 152 Å2
Polarizability: 69.7±0.5 10-24cm3
Surface Tension: 52.1±5.0 dyne/cm
Molar Volume: 547.3±5.0 cm3

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