ChemSpider 2D Image | 6-[(3beta,8xi,9xi,14xi)-Cholest-5-en-3-yloxy]hexyl 1-thio-alpha-D-mannopyranoside | C39H68O6S

6-[(3β,8ξ,9ξ,14ξ)-Cholest-5-en-3-yloxy]hexyl 1-thio-α-D-mannopyranoside

  • Molecular FormulaC39H68O6S
  • Average mass665.019 Da
  • Monoisotopic mass664.473633 Da
  • ChemSpider ID164840

  • defined stereocentres - 10 of 13 defined stereocentres

More details:

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

1-Thio-α-D-mannopyranoside de 6-[(3β,8ξ,9ξ,14ξ)-cholest-5-én-3-yloxy]hexyle [French] [ACD/IUPAC Name]
6-[(3β,8ξ,9ξ,14ξ)-Cholest-5-en-3-yloxy]hexyl 1-thio-α-D-mannopyranoside [ACD/IUPAC Name]
6-[(3β,8ξ,9ξ,14ξ)-Cholest-5-en-3-yloxy]hexyl-1-thio-α-D-mannopyranosid [German] [ACD/IUPAC Name]
α-D-Mannopyranoside, 6-[(3β,8ξ,9ξ,14ξ)-cholest-5-en-3-yloxy]hexyl 1-thio- [ACD/Index Name]
6-Cohtm
73294-91-4 [RN]
α-D-Mannopyranoside, 6-(((3β)-cholest-5-en-3-yl)oxy)hexyl 1-thio-

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

Density: 1.1±0.1 g/cm3
Boiling Point: 750.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.7 mmHg at 25°C
Enthalpy of Vaporization: 124.9±6.0 kJ/mol
Flash Point: 407.9±32.9 °C
Index of Refraction: 1.560
Molar Refractivity: 189.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 9.99
ACD/LogD (pH 5.5): 8.54
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1052044.63
ACD/LogD (pH 7.4): 8.54
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1052038.88
Polar Surface Area: 125 Å2
Polarizability: 75.1±0.5 10-24cm3
Surface Tension: 50.0±5.0 dyne/cm
Molar Volume: 585.9±5.0 cm3

Click to predict properties on the Chemicalize site


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