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

N-[(2,3,5,9-Tetramethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetyl]glycyl-L-alloisoleucine

  • Molecular FormulaC25H30N2O7
  • Average mass470.515 Da
  • Monoisotopic mass470.205292 Da
  • ChemSpider ID22875264

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

L-Alloisoleucine, N-[2-(2,3,5,9-tetramethyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl)acetyl]glycyl- [ACD/Index Name]
N-[(2,3,5,9-Tetramethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetyl]glycyl-L-alloisoleucin [German] [ACD/IUPAC Name]
N-[(2,3,5,9-Tetramethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetyl]glycyl-L-alloisoleucine [ACD/IUPAC Name]
N-[2-(2,3,5,9-Tétraméthyl-7-oxo-7H-furo[3,2-g]chromén-6-yl)acétyl]glycyl-L-alloisoleucine [French] [ACD/IUPAC Name]
(2S,3R)-3-methyl-2-[[2-[[2-(2,3,5,9-tetramethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]amino]acetyl]amino]pentanoic acid
956691-34-2 [RN]
N-({[(2,3,5,9-tetramethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetyl]amino}acetyl)isoleucine
WBBYDPLMLYELBP-FIKIJFGZSA-N

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 786.2±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: 429.3±32.9 °C
    Index of Refraction: 1.575
    Molar Refractivity: 124.2±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 3
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 0
    ACD/LogP: 4.63
    ACD/LogD (pH 5.5): 1.45
    ACD/BCF (pH 5.5): 2.09
    ACD/KOC (pH 5.5): 12.96
    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: 50.0±3.0 dyne/cm
    Molar Volume: 375.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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