ChemSpider 2D Image | (3beta)-Cholest-5-en-3-yl (6R)-5-acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranosidonic acid | C38H63NO9

(3β)-Cholest-5-en-3-yl (6R)-5-acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranosidonic acid

  • Molecular FormulaC38H63NO9
  • Average mass677.908 Da
  • Monoisotopic mass677.450256 Da
  • ChemSpider ID118138

  • defined stereocentres - 14 of 14 defined stereocentres

More details:

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

(3β)-Cholest-5-en-3-yl (6R)-5-acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranosidonic acid [ACD/IUPAC Name]
(3β)-Cholest-5-en-3-yl-(6R)-5-acetamido-3,5-didesoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranosidonsäure [German] [ACD/IUPAC Name]
Acide (6R)-5-acétamido-3,5-didésoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-thréo-hex-2-ulopyranosidonique de (3β)-cholest-5-én-3-yle [French] [ACD/IUPAC Name]
D-glycero-α-D-galacto-2-Nonulopyranosidonic acid, (3β)-cholest-5-en-3-yl 5-(acetylamino)-3,5-dideoxy- [ACD/Index Name]
113108-90-0 [RN]
D-GLYCERO-A-D-GALACTO-2-NONULOPYRANOSONIC ACID 5-(ACETYLAMINO)-3,5-DIDEOXY-,(3SS)-CHOLEST-5-EN-3-YL ESTER
D-glycero-α-D-galacto-2-Nonulopyranosonic acid, 5-(acetylamino)-3, 5-dideoxy-, (3β)-cholest-5
D-glycero-α-D-galacto-2-Nonulopyranosonic acid, 5-(acetylamino)-3,5-dideoxy-, (3β)-cholest-5-en-3-yl ester
N-Acetylneuraminyl cholesterol
N-Acetyneuraminyl cholesterol
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 855.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 141.4±6.0 kJ/mol
Flash Point: 471.4±34.3 °C
Index of Refraction: 1.571
Molar Refractivity: 182.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 4
ACD/LogP: 8.37
ACD/LogD (pH 5.5): 2.97
ACD/BCF (pH 5.5): 17.00
ACD/KOC (pH 5.5): 29.86
ACD/LogD (pH 7.4): 2.57
ACD/BCF (pH 7.4): 6.64
ACD/KOC (pH 7.4): 11.67
Polar Surface Area: 166 Å2
Polarizability: 72.3±0.5 10-24cm3
Surface Tension: 56.1±5.0 dyne/cm
Molar Volume: 554.6±5.0 cm3

Click to predict properties on the Chemicalize site


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