ChemSpider 2D Image | N-(4-{[(2,4-Diamino-6-oxo-1,6-dihydro-5-pyrimidinyl)carbamoyl]amino}benzoyl)-L-glutamic acid | C17H19N7O7

N-(4-{[(2,4-Diamino-6-oxo-1,6-dihydro-5-pyrimidinyl)carbamoyl]amino}benzoyl)-L-glutamic acid

  • Molecular FormulaC17H19N7O7
  • Average mass433.375 Da
  • Monoisotopic mass433.134583 Da
  • ChemSpider ID35035669

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2s)-2-[[4-[[2,4-Bis(Azanyl)-6-Oxidanylidene-1h-Pyrimidin-5-Yl]carbamoylamino]phenyl]carbonylamino]pentanedioic Acid
Acide N-(4-{[(2,4-diamino-6-oxo-1,6-dihydro-5-pyrimidinyl)carbamoyl]amino}benzoyl)-L-glutamique [French] [ACD/IUPAC Name]
L-Glutamic acid, N-[4-[[[(2,4-diamino-1,6-dihydro-6-oxo-5-pyrimidinyl)amino]carbonyl]amino]benzoyl]- [ACD/Index Name]
N-(4-{[(2,4-Diamino-6-oxo-1,6-dihydro-5-pyrimidinyl)carbamoyl]amino}benzoyl)-L-glutamic acid [ACD/IUPAC Name]
N-(4-{[(2,4-Diamino-6-oxo-1,6-dihydro-5-pyrimidinyl)carbamoyl]amino}benzoyl)-L-glutaminsäure [German] [ACD/IUPAC Name]
(S)-2-(4-(3-(2,4-diamino-6-oxo-1,6-dihydropyrimidin-5-yl)ureido)benzamido)pentanedioic Acid
1415648-20-2 [RN]
9L9

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

    Density: 1.8±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.752
    Molar Refractivity: 100.9±0.5 cm3
    #H bond acceptors: 14
    #H bond donors: 10
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 2
    ACD/LogP: -3.35
    ACD/LogD (pH 5.5): -5.46
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -7.38
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 238 Å2
    Polarizability: 40.0±0.5 10-24cm3
    Surface Tension: 86.7±7.0 dyne/cm
    Molar Volume: 247.1±7.0 cm3

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