ChemSpider 2D Image | 2-[{(2R,3S,5R)-2,5-Bis(benzyloxy)-6-[(1-carboxy-2-methylpropyl)(methyl)amino]-3-hydroxy-6-oxohexanoyl}(methyl)amino]-3-methylbutanoic acid | C32H44N2O9

2-[{(2R,3S,5R)-2,5-Bis(benzyloxy)-6-[(1-carboxy-2-methylpropyl)(methyl)amino]-3-hydroxy-6-oxohexanoyl}(methyl)amino]-3-methylbutanoic acid

  • Molecular FormulaC32H44N2O9
  • Average mass600.700 Da
  • Monoisotopic mass600.304688 Da
  • ChemSpider ID23223289

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

2-[{(2R,3S,5R)-2,5-Bis(benzyloxy)-6-[(1-carboxy-2-methylpropyl)(methyl)amino]-3-hydroxy-6-oxohexanoyl}(methyl)amino]-3-methylbutanoic acid [ACD/IUPAC Name]
2-[{(2R,3S,5R)-2,5-Bis(benzyloxy)-6-[(1-carboxy-2-methylpropyl)(methyl)amino]-3-hydroxy-6-oxohexanoyl}(methyl)amino]-3-methylbutansäure [German] [ACD/IUPAC Name]
Acide 2-[{(2R,3S,5R)-2,5-bis(benzyloxy)-6-[(1-carboxy-2-méthylpropyl)(méthyl)amino]-3-hydroxy-6-oxohexanoyl}(méthyl)amino]-3-méthylbutanoïque [French] [ACD/IUPAC Name]
2-({2,5-Bis-benzyloxy-5-[(1-carboxy-2-methyl-propyl)-methyl-carbamoyl]-3-hydroxy-pentanoyl}-methyl-amino)-3-methyl-butyric acid
2-[(2R,3S,5R)-2,5-bis(benzyloxy)-5-[(1-carboxy-2-methylpropyl)(methyl)carbamoyl]-3-hydroxy-N-methylpentanamido]-3-methylbutanoic acid
CHEMBL150068

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

Density: 1.2±0.1 g/cm3
Boiling Point: 811.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 123.7±3.0 kJ/mol
Flash Point: 444.8±34.3 °C
Index of Refraction: 1.561
Molar Refractivity: 159.0±0.3 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 7.07
ACD/LogD (pH 5.5): 0.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 154 Å2
Polarizability: 63.1±0.5 10-24cm3
Surface Tension: 51.5±3.0 dyne/cm
Molar Volume: 490.9±3.0 cm3

Click to predict properties on the Chemicalize site


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