ChemSpider 2D Image | Methyl 4-O-[(4-cyanophenyl)carbamoyl]-2,3-bis-O-[(2R)-2-methyl-4-pentenoyl]-alpha-D-galactopyranoside | C27H34N2O9

Methyl 4-O-[(4-cyanophenyl)carbamoyl]-2,3-bis-O-[(2R)-2-methyl-4-pentenoyl]-α-D-galactopyranoside

  • Molecular FormulaC27H34N2O9
  • Average mass530.567 Da
  • Monoisotopic mass530.226440 Da
  • ChemSpider ID5045986
  • defined stereocentres - 7 of 7 defined stereocentres


More details:






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

4-O-[(4-Cyanophényl)carbamoyl]-2,3-bis-O-[(2R)-2-méthyl-4-pentenoyl]-α-D-galactopyranoside de méthyle [French] [ACD/IUPAC Name]
Methyl 4-O-[(4-cyanophenyl)carbamoyl]-2,3-bis-O-[(2R)-2-methyl-4-pentenoyl]-α-D-galactopyranoside [ACD/IUPAC Name]
Methyl-4-O-[(4-cyanphenyl)carbamoyl]-2,3-bis-O-[(2R)-2-methyl-4-pentenoyl]-α-D-galactopyranosid [German] [ACD/IUPAC Name]
α-D-Galactopyranoside, methyl 2,3-bis-O-[(2R)-2-methyl-1-oxo-4-penten-1-yl]-, 4-[(4-cyanophenyl)carbamate] [ACD/Index Name]
CDH1_000316

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

CBiol_001372 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 599.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.9±3.0 kJ/mol
Flash Point: 316.6±30.1 °C
Index of Refraction: 1.547
Molar Refractivity: 135.5±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 5.52
ACD/LogD (pH 5.5): 4.14
ACD/BCF (pH 5.5): 822.92
ACD/KOC (pH 5.5): 4250.25
ACD/LogD (pH 7.4): 4.14
ACD/BCF (pH 7.4): 822.91
ACD/KOC (pH 7.4): 4250.21
Polar Surface Area: 153 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 52.5±5.0 dyne/cm
Molar Volume: 427.0±5.0 cm3

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