ChemSpider 2D Image | N,N'-Bis{[5-(dimethylamino)-1-naphthyl]sulfonyl}-D-cystine | C30H34N4O8S4

N,N'-Bis{[5-(dimethylamino)-1-naphthyl]sulfonyl}-D-cystine

  • Molecular FormulaC30H34N4O8S4
  • Average mass706.873 Da
  • Monoisotopic mass706.125916 Da
  • ChemSpider ID88297461

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

D-Cystine, N,N'-bis[[5-(dimethylamino)-1-naphthalenyl]sulfonyl]- [ACD/Index Name]
N,N'-Bis{[5-(dimethylamino)-1-naphthyl]sulfonyl}-D-cystin [German] [ACD/IUPAC Name]
N,N'-Bis{[5-(dimethylamino)-1-naphthyl]sulfonyl}-D-cystine [ACD/IUPAC Name]
N,N'-Bis{[5-(diméthylamino)-1-naphtyl]sulfonyl}-D-cystine [French] [ACD/IUPAC Name]
18468-46-7 [RN]
di(dansyl)cystine

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

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