ChemSpider 2D Image | Dimethyl (6R)-4,5-di-O-acetyl-3-deoxy-6-[(1R,2R)-1,2,3-triacetoxypropyl]-alpha-L-threo-hex-2-ulopyranosidonate | C21H30O14

Dimethyl (6R)-4,5-di-O-acetyl-3-deoxy-6-[(1R,2R)-1,2,3-triacetoxypropyl]-α-L-threo-hex-2-ulopyranosidonate

  • Molecular FormulaC21H30O14
  • Average mass506.454 Da
  • Monoisotopic mass506.163544 Da
  • ChemSpider ID9595657

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(6R)-4,5-Di-O-acétyl-3-désoxy-6-[(1R,2R)-1,2,3-triacétoxypropyl]-α-L-thréo-hex-2-ulopyranosidonate de diméthyle [French] [ACD/IUPAC Name]
D-glycero-β-D-galacto-2-Nonulopyranosidonic acid, methyl 3-deoxy-, methyl ester, pentaacetate [ACD/Index Name]
Dimethyl (6R)-4,5-di-O-acetyl-3-deoxy-6-[(1R,2R)-1,2,3-triacetoxypropyl]-α-L-threo-hex-2-ulopyranosidonate [ACD/IUPAC Name]
Dimethyl-(6R)-4,5-di-O-acetyl-3-desoxy-6-[(1R,2R)-1,2,3-triacetoxypropyl]-α-L-threo-hex-2-ulopyranosidonat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 528.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.3±3.0 kJ/mol
Flash Point: 224.1±30.2 °C
Index of Refraction: 1.488
Molar Refractivity: 111.8±0.4 cm3
#H bond acceptors: 14
#H bond donors: 0
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 1.53
ACD/LogD (pH 5.5): 1.29
ACD/BCF (pH 5.5): 5.64
ACD/KOC (pH 5.5): 119.98
ACD/LogD (pH 7.4): 1.29
ACD/BCF (pH 7.4): 5.64
ACD/KOC (pH 7.4): 119.98
Polar Surface Area: 176 Å2
Polarizability: 44.3±0.5 10-24cm3
Surface Tension: 48.1±5.0 dyne/cm
Molar Volume: 387.8±5.0 cm3

Click to predict properties on the Chemicalize site


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