ChemSpider 2D Image | N,N'-Didansyl-l-cystin | C30H34N4O8S4

N,N'-Didansyl-l-cystin

  • Molecular FormulaC30H34N4O8S4
  • Average mass706.873 Da
  • Monoisotopic mass706.125916 Da
  • ChemSpider ID2043339

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

18468-46-7 [RN]
L-Cystine, N,N'-bis((5-(dimethylamino)-1-naphthalenyl)sulfonyl)-
L-Cystine, N,N'-bis[[5-(dimethylamino)-1-naphthalenyl]sulfonyl]- [ACD/Index Name]
N,N'-Bis{[5-(dimethylamino)-1-naphthyl]sulfonyl}-L-cystin [German] [ACD/IUPAC Name]
N,N'-Bis{[5-(dimethylamino)-1-naphthyl]sulfonyl}-L-cystine [ACD/IUPAC Name]
N,N'-Bis{[5-(diméthylamino)-1-naphtyl]sulfonyl}-L-cystine [French] [ACD/IUPAC Name]
N,N'-Didansyl-l-cystin
N,N'-DIDANSYL-L-CYSTINE
(2R)-3-[[(2R)-2-carboxy-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]ethyl]disulfanyl]-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]propanoic acid
(2R)-3-{[(2R)-2-CARBOXY-2-[5-(DIMETHYLAMINO)NAPHTHALENE-1-SULFONAMIDO]ETHYL]DISULFANYL}-2-[5-(DIMETHYLAMINO)NAPHTHALENE-1-SULFONAMIDO]PROPANOIC ACID
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.5±0.1 g/cm3
    Boiling Point: 899.2±75.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 136.9±3.0 kJ/mol
    Flash Point: 497.6±37.1 °C
    Index of Refraction: 1.697
    Molar Refractivity: 184.9±0.4 cm3
    #H bond acceptors: 12
    #H bond donors: 4
    #Freely Rotating Bonds: 15
    #Rule of 5 Violations: 3
    ACD/LogP: 7.87
    ACD/LogD (pH 5.5): 0.69
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): 0.51
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 241 Å2
    Polarizability: 73.3±0.5 10-24cm3
    Surface Tension: 72.1±3.0 dyne/cm
    Molar Volume: 479.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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