Found 29 results

Search term: MF = 'C_{34}H_{48}O_{12}'
ChemSpider 2D Image | Methyl 2,3-di-O-acetyl-1-O-(6-{[6-(benzyloxy)-5,5-dimethyl-6-oxohexyl]oxy}-2,2-dimethylhexanoyl)-4-deoxy-alpha-L-threo-hex-4-enopyranuronate | C34H48O12

Methyl 2,3-di-O-acetyl-1-O-(6-{[6-(benzyloxy)-5,5-dimethyl-6-oxohexyl]oxy}-2,2-dimethylhexanoyl)-4-deoxy-α-L-threo-hex-4-enopyranuronate

  • Molecular FormulaC34H48O12
  • Average mass648.738 Da
  • Monoisotopic mass648.314575 Da
  • ChemSpider ID9517667

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2,3-Di-O-acétyl-1-O-(6-{[6-(benzyloxy)-5,5-diméthyl-6-oxohexyl]oxy}-2,2-diméthylhexanoyl)-4-désoxy-α-L-thréo-hex-4-énopyranuronate de méthyle [French] [ACD/IUPAC Name]
Methyl 2,3-di-O-acetyl-1-O-(6-{[6-(benzyloxy)-5,5-dimethyl-6-oxohexyl]oxy}-2,2-dimethylhexanoyl)-4-deoxy-α-L-threo-hex-4-enopyranuronate [ACD/IUPAC Name]
Methyl-2,3-di-O-acetyl-1-O-(6-{[6-(benzyloxy)-5,5-dimethyl-6-oxohexyl]oxy}-2,2-dimethylhexanoyl)-4-desoxy-α-L-threo-hex-4-enopyranuronat [German] [ACD/IUPAC Name]
α-L-threo-Hex-4-enopyranuronic acid, 4-deoxy-1-O-[6-[[5,5-dimethyl-6-oxo-6-(phenylmethoxy)hexyl]oxy]-2,2-dimethyl-1-oxohexyl]-, methyl ester, diacetate [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: 665.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.9±3.0 kJ/mol
Flash Point: 270.4±31.5 °C
Index of Refraction: 1.521
Molar Refractivity: 166.8±0.4 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 3
ACD/LogP: 5.52
ACD/LogD (pH 5.5): 5.55
ACD/BCF (pH 5.5): 9660.38
ACD/KOC (pH 5.5): 24777.00
ACD/LogD (pH 7.4): 5.55
ACD/BCF (pH 7.4): 9660.38
ACD/KOC (pH 7.4): 24777.00
Polar Surface Area: 150 Å2
Polarizability: 66.1±0.5 10-24cm3
Surface Tension: 47.0±5.0 dyne/cm
Molar Volume: 548.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement