ChemSpider 2D Image | Methyl 3-[3-acetyl-2,6-dihydroxy-5-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)phenyl]-3-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)propanoate | C29H29N3O8

Methyl 3-[3-acetyl-2,6-dihydroxy-5-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)phenyl]-3-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)propanoate

  • Molecular FormulaC29H29N3O8
  • Average mass547.556 Da
  • Monoisotopic mass547.195435 Da
  • ChemSpider ID58173434

More details:

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

1H-Benzimidazole-5-propanoic acid, β-[3-acetyl-5-(1,3-dihydro-7-hydroxy-6-methylfuro[3,4-c]pyridin-1-yl)-2,6-dihydroxyphenyl]-2,3-dihydro-1,3-dimethyl-2-oxo-, methyl ester [ACD/Index Name]
3-[3-Acétyl-2,6-dihydroxy-5-(7-hydroxy-6-méthyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)phényl]-3-(1,3-diméthyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)propanoate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-[3-acetyl-2,6-dihydroxy-5-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)phenyl]-3-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)propanoate [ACD/IUPAC Name]
Methyl-3-[3-acetyl-2,6-dihydroxy-5-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)phenyl]-3-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)propanoat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 770.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.1±3.0 kJ/mol
Flash Point: 419.8±32.9 °C
Index of Refraction: 1.653
Molar Refractivity: 143.1±0.3 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 2.75
ACD/LogD (pH 5.5): 3.16
ACD/BCF (pH 5.5): 129.92
ACD/KOC (pH 5.5): 967.13
ACD/LogD (pH 7.4): 2.53
ACD/BCF (pH 7.4): 30.37
ACD/KOC (pH 7.4): 226.11
Polar Surface Area: 150 Å2
Polarizability: 56.7±0.5 10-24cm3
Surface Tension: 64.6±3.0 dyne/cm
Molar Volume: 390.9±3.0 cm3

Click to predict properties on the Chemicalize site


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