ChemSpider 2D Image | (H-CYS-PNA)2 | C18H20N6O6S2

(H-CYS-PNA)2

  • Molecular FormulaC18H20N6O6S2
  • Average mass480.518 Da
  • Monoisotopic mass480.088562 Da
  • ChemSpider ID29366384

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(H-CYS-PNA)2
L-Cystinamide, N,N'-bis(4-nitrophenyl)- [ACD/Index Name]
N,N'-Bis(4-nitrophenyl)-L-cystinamid [German] [ACD/IUPAC Name]
N,N'-Bis(4-nitrophenyl)-L-cystinamide [ACD/IUPAC Name]
N,N'-Bis(4-nitrophényl)-L-cystinamide [French] [ACD/IUPAC Name]
(2R)-2-AMINO-3-{[(2R)-2-AMINO-2-[(4-NITROPHENYL)CARBAMOYL]ETHYL]DISULFANYL}-N-(4-NITROPHENYL)PROPANAMIDE
(2R,2'R)-3,3'-disulfanediylbis(2-amino-N-(4-nitrophenyl)propanamide)
L-Cystine bis-4-nitroanilide
L-CYSTINYL-BIS-4-NITROANILIDE

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 807.2±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.9 mmHg at 25°C
    Enthalpy of Vaporization: 117.3±3.0 kJ/mol
    Flash Point: 442.0±34.3 °C
    Index of Refraction: 1.737
    Molar Refractivity: 124.3±0.3 cm3
    #H bond acceptors: 12
    #H bond donors: 6
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 2
    ACD/LogP: 3.41
    ACD/LogD (pH 5.5): 0.83
    ACD/BCF (pH 5.5): 1.71
    ACD/KOC (pH 5.5): 32.34
    ACD/LogD (pH 7.4): 1.52
    ACD/BCF (pH 7.4): 8.31
    ACD/KOC (pH 7.4): 156.97
    Polar Surface Area: 252 Å2
    Polarizability: 49.3±0.5 10-24cm3
    Surface Tension: 83.4±3.0 dyne/cm
    Molar Volume: 309.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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