ChemSpider 2D Image | N-[3-(3,5,9-Trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]glycyl-D-alloisoleucine | C25H30N2O7

N-[3-(3,5,9-Trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]glycyl-D-alloisoleucine

  • Molecular FormulaC25H30N2O7
  • Average mass470.515 Da
  • Monoisotopic mass470.205292 Da
  • ChemSpider ID21834543

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

D-Alloisoleucine, N-[1-oxo-3-(3,5,9-trimethyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl)propyl]glycyl- [ACD/Index Name]
N-[3-(3,5,9-Trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]glycyl-D-alloisoleucin [German] [ACD/IUPAC Name]
N-[3-(3,5,9-Trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]glycyl-D-alloisoleucine [ACD/IUPAC Name]
N-[3-(3,5,9-Triméthyl-7-oxo-7H-furo[3,2-g]chromén-6-yl)propanoyl]glycyl-D-alloisoleucine [French] [ACD/IUPAC Name]
(2R)-3-methyl-2-{2-[3-(4,6,9-trimethyl-2-oxofurano[3,2-g]chromen-3-yl)propanoylamino]acetylamino}pentanoic acid
(2R,3S)-3-methyl-2-(2-(3-(3,5,9-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)acetamido)pentanoic acid
3-Methyl-2-{2-[3-(3,5,9-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)-propionylamino]-acetylamino}-pentanoic acid
N-[3-(3,5,9-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-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: 786.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.0±3.0 kJ/mol
Flash Point: 429.4±32.9 °C
Index of Refraction: 1.574
Molar Refractivity: 124.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.33
ACD/LogD (pH 5.5): 1.18
ACD/BCF (pH 5.5): 1.29
ACD/KOC (pH 5.5): 9.25
ACD/LogD (pH 7.4): -0.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 135 Å2
Polarizability: 49.2±0.5 10-24cm3
Surface Tension: 50.2±3.0 dyne/cm
Molar Volume: 375.9±3.0 cm3

Click to predict properties on the Chemicalize site


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