ChemSpider 2D Image | (1beta,3beta,16beta,22S)-1,3,22-Trihydroxycholest-5-en-16-yl 6-deoxy-alpha-L-mannopyranoside | C33H56O8

(1β,3β,16β,22S)-1,3,22-Trihydroxycholest-5-en-16-yl 6-deoxy-α-L-mannopyranoside

  • Molecular FormulaC33H56O8
  • Average mass580.793 Da
  • Monoisotopic mass580.397522 Da
  • ChemSpider ID8658754

  • defined stereocentres - 16 of 16 defined stereocentres

More details:

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

(1β,3β,16β,22S)-1,3,22-Trihydroxycholest-5-en-16-yl 6-deoxy-α-L-mannopyranoside [ACD/IUPAC Name]
(1β,3β,16β,22S)-1,3,22-Trihydroxycholest-5-en-16-yl-6-desoxy-α-L-mannopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-α-L-mannopyranoside de (1β,3β,16β,22S)-1,3,22-trihydroxycholest-5-én-16-yle [French] [ACD/IUPAC Name]
α-L-Mannopyranoside, (1β,3β,16β,22S)-1,3,22-trihydroxycholest-5-en-16-yl 6-deoxy- [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: 717.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.2 mmHg at 25°C
Enthalpy of Vaporization: 119.7±6.0 kJ/mol
Flash Point: 387.5±32.9 °C
Index of Refraction: 1.578
Molar Refractivity: 156.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 4.93
ACD/LogD (pH 5.5): 3.54
ACD/BCF (pH 5.5): 286.09
ACD/KOC (pH 5.5): 1995.14
ACD/LogD (pH 7.4): 3.54
ACD/BCF (pH 7.4): 286.09
ACD/KOC (pH 7.4): 1995.13
Polar Surface Area: 140 Å2
Polarizability: 62.1±0.5 10-24cm3
Surface Tension: 56.3±5.0 dyne/cm
Molar Volume: 472.2±5.0 cm3

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