ChemSpider 2D Image | N-[(2,3,5-Trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetyl]-D-alloisoleucine | C22H25NO6

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

  • Molecular FormulaC22H25NO6
  • Average mass399.437 Da
  • Monoisotopic mass399.168182 Da
  • ChemSpider ID24758015

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

D-Alloisoleucine, N-[2-(2,3,5-trimethyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl)acetyl]- [ACD/Index Name]
N-[(2,3,5-Trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetyl]-D-alloisoleucin [German] [ACD/IUPAC Name]
N-[(2,3,5-Trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetyl]-D-alloisoleucine [ACD/IUPAC Name]
N-[2-(2,3,5-Triméthyl-7-oxo-7H-furo[3,2-g]chromén-6-yl)acétyl]-D-alloisoleucine [French] [ACD/IUPAC Name]
(2R)-3-methyl-2-[2-(4,6,7-trimethyl-2-oxofurano[3,2-g]chromen-3-yl)acetylamino]pentanoic acid
(2R,3S)-3-methyl-2-(2-(2,3,5-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetamido)pentanoic acid
N-[(2,3,5-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetyl]-D-isoleucine

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

Density: 1.2±0.1 g/cm3
Boiling Point: 666.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.9±3.0 kJ/mol
Flash Point: 356.7±31.5 °C
Index of Refraction: 1.579
Molar Refractivity: 106.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.36
ACD/LogD (pH 5.5): 1.10
ACD/BCF (pH 5.5): 1.15
ACD/KOC (pH 5.5): 8.69
ACD/LogD (pH 7.4): -0.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 106 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 48.8±3.0 dyne/cm
Molar Volume: 320.5±3.0 cm3

Click to predict properties on the Chemicalize site


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