ChemSpider 2D Image | N-[3-(7-Hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)propanoyl]glycyl-D-alloisoleucine | C21H26N2O7

N-[3-(7-Hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)propanoyl]glycyl-D-alloisoleucine

  • Molecular FormulaC21H26N2O7
  • Average mass418.440 Da
  • Monoisotopic mass418.174011 Da
  • ChemSpider ID21834650

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

D-Alloisoleucine, N-[3-(7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)-1-oxopropyl]glycyl- [ACD/Index Name]
N-[3-(7-Hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)propanoyl]glycyl-D-alloisoleucin [German] [ACD/IUPAC Name]
N-[3-(7-Hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)propanoyl]glycyl-D-alloisoleucine [ACD/IUPAC Name]
N-[3-(7-Hydroxy-4-méthyl-2-oxo-2H-chromén-3-yl)propanoyl]glycyl-D-alloisoleucine [French] [ACD/IUPAC Name]
(2R)-2-{2-[3-(7-hydroxy-4-methyl-2-oxochromen-3-yl)propanoylamino]acetylamino}-3-methylpentanoic acid
(2R,3S)-2-(2-(3-(7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)propanamido)acetamido)-3-methylpentanoic acid
2-{2-[3-(7-Hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)-propionylamino]-acetylamino}-3-methyl-pentanoic acid
N-[3-(7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)propanoyl]glycyl-D-isoleucine

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

Density: 1.3±0.1 g/cm3
Boiling Point: 785.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 119.8±3.0 kJ/mol
Flash Point: 428.7±32.9 °C
Index of Refraction: 1.567
Molar Refractivity: 106.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.90
ACD/LogD (pH 5.5): -0.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.70
ACD/LogD (pH 7.4): -1.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 142 Å2
Polarizability: 42.1±0.5 10-24cm3
Surface Tension: 53.6±3.0 dyne/cm
Molar Volume: 324.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement