ChemSpider 2D Image | PCI 27483 | C26H24N6O9S

PCI 27483

  • Molecular FormulaC26H24N6O9S
  • Average mass596.569 Da
  • Monoisotopic mass596.132568 Da
  • ChemSpider ID32697927

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

6073LCU8U9
871266-63-6 [RN]
Acide N-{2-[5-(5-carbamimidoyl-1H-benzimidazol-2-yl)-2',6-dihydroxy-5'-sulfamoyl-3-biphénylyl]acétyl}-L-aspartique [French] [ACD/IUPAC Name]
L-Aspartic acid, N-[2-[5-[6-(aminoiminomethyl)-1H-benzimidazol-2-yl]-5'-(aminosulfonyl)-2',6-dihydroxy[1,1'-biphenyl]-3-yl]acetyl]- [ACD/Index Name]
N-{[5-(5-Carbamimidoyl-1H-benzimidazol-2-yl)-2',6-dihydroxy-5'-sulfamoyl-3-biphenylyl]acetyl}-L-asparaginsäure [German] [ACD/IUPAC Name]
N-{[5-(5-Carbamimidoyl-1H-benzimidazol-2-yl)-2',6-dihydroxy-5'-sulfamoyl-3-biphenylyl]acetyl}-L-aspartic acid [ACD/IUPAC Name]
PCI 27483
PCI-27483
(2-(5-(6-carbamimidoyl-1H-benzo[d]imidazol-2-yl)-2',6-dihydroxy-5'-sulfamoyl-[1,1'-biphenyl]-3-yl)acetyl)-L-aspartic acid
(S)-2-(2-(5-(5-Carbamimidoyl-1H-benzo(d)imidazol-2-yl)-2',6-dihydroxy-5'-sulfamoyl-(1,1'-biphenyl)-3-yl)acetamido)succinic acid
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.7±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.775
    Molar Refractivity: 142.8±0.5 cm3
    #H bond acceptors: 15
    #H bond donors: 11
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 3
    ACD/LogP: -0.74
    ACD/LogD (pH 5.5): -3.48
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -4.18
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 291 Å2
    Polarizability: 56.6±0.5 10-24cm3
    Surface Tension: 85.8±7.0 dyne/cm
    Molar Volume: 341.9±7.0 cm3

    Click to predict properties on the Chemicalize site


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