ChemSpider 2D Image | 6-[(3beta)-Cholest-5-en-3-yloxy]hexyl 6-amino-6-deoxy-1-thio-alpha-D-mannopyranoside | C39H69NO5S

6-[(3β)-Cholest-5-en-3-yloxy]hexyl 6-amino-6-deoxy-1-thio-α-D-mannopyranoside

  • Molecular FormulaC39H69NO5S
  • Average mass664.034 Da
  • Monoisotopic mass663.489624 Da
  • ChemSpider ID2339134

  • defined stereocentres - 13 of 13 defined stereocentres

More details:

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

6-[(3β)-Cholest-5-en-3-yloxy]hexyl 6-amino-6-deoxy-1-thio-α-D-mannopyranoside [ACD/IUPAC Name]
6-[(3β)-Cholest-5-en-3-yloxy]hexyl-6-amino-6-desoxy-1-thio-α-D-mannopyranosid [German] [ACD/IUPAC Name]
6-Amino-6-désoxy-1-thio-α-D-mannopyranoside de 6-[(3β)-cholest-5-én-3-yloxy]hexyle [French] [ACD/IUPAC Name]
α-D-Mannopyranoside, 6-[(3β)-cholest-5-en-3-yloxy]hexyl 6-amino-6-deoxy-1-thio- [ACD/Index Name]
(2R,3S,4S,5S,6R)-2-(aminomethyl)-6-[6-[[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]hexylsulfanyl]oxane-3,4,5-triol
6-(5-Cholesten-3β-yloxy)hexyl 1-thio-6-amino-6-deoxy-D-mannopyranoside
68354-99-4 [RN]
6-Coham
Nmanchol
α-D-Mannopyranoside, 6-(((3β)-cholest-5-en-3-yl)oxy)hexyl 6-amino-6-deoxy-1-thio-

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

L 644257 [DBID]
L-644257 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 745.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.6 mmHg at 25°C
Enthalpy of Vaporization: 124.1±6.0 kJ/mol
Flash Point: 404.7±32.9 °C
Index of Refraction: 1.560
Molar Refractivity: 191.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 11.45
ACD/LogD (pH 5.5): 6.32
ACD/BCF (pH 5.5): 7073.52
ACD/KOC (pH 5.5): 2759.35
ACD/LogD (pH 7.4): 7.50
ACD/BCF (pH 7.4): 106297.63
ACD/KOC (pH 7.4): 41466.21
Polar Surface Area: 130 Å2
Polarizability: 76.0±0.5 10-24cm3
Surface Tension: 49.6±5.0 dyne/cm
Molar Volume: 592.1±5.0 cm3

Click to predict properties on the Chemicalize site


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