ChemSpider 2D Image | N~5~-Carbamoyl-N~2~-[3-(3,5,9-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]-D-ornithine | C23H27N3O7

N5-Carbamoyl-N2-[3-(3,5,9-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]-D-ornithine

  • Molecular FormulaC23H27N3O7
  • Average mass457.476 Da
  • Monoisotopic mass457.184906 Da
  • ChemSpider ID21834721

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

D-Ornithine, N5-(aminocarbonyl)-N2-[1-oxo-3-(3,5,9-trimethyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl)propyl]- [ACD/Index Name]
N5-Carbamoyl-N2-[3-(3,5,9-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]-D-ornithin [German] [ACD/IUPAC Name]
N5-Carbamoyl-N2-[3-(3,5,9-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]-D-ornithine [ACD/IUPAC Name]
N5-Carbamoyl-N2-[3-(3,5,9-triméthyl-7-oxo-7H-furo[3,2-g]chromén-6-yl)propanoyl]-D-ornithine [French] [ACD/IUPAC Name]
(2R)-5-(aminocarbonylamino)-2-[3-(4,6,9-trimethyl-2-oxofurano[3,2-g]chromen-3-yl)propanoylamino]pentanoic acid
(R)-2-(3-(3,5,9-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)-5-ureidopentanoic acid
2-[3-(3,5,9-Trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)-propionylamino]-5-ureido-pentanoic acid

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

Density: 1.3±0.1 g/cm3
Boiling Point: 778.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.8±3.0 kJ/mol
Flash Point: 424.5±32.9 °C
Index of Refraction: 1.599
Molar Refractivity: 118.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 2.26
ACD/LogD (pH 5.5): -0.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.22
ACD/LogD (pH 7.4): -1.83
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 161 Å2
Polarizability: 46.9±0.5 10-24cm3
Surface Tension: 57.3±3.0 dyne/cm
Molar Volume: 346.2±3.0 cm3

Click to predict properties on the Chemicalize site


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