ChemSpider 2D Image | MFCD00047697 | C18H16N6O12S2

MFCD00047697

  • Molecular FormulaC18H16N6O12S2
  • Average mass572.483 Da
  • Monoisotopic mass572.026733 Da
  • ChemSpider ID342050

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

23067-16-5 [RN]
L-Cystine, N,N'-bis(2,4-dinitrophenyl)- [ACD/Index Name]
MFCD00047697
N,N'-Bis(2,4-dinitrophenyl)-L-cystin [German] [ACD/IUPAC Name]
N,N'-Bis(2,4-dinitrophenyl)-L-cystine [ACD/IUPAC Name]
N,N'-Bis(2,4-dinitrophényl)-L-cystine [French] [ACD/IUPAC Name]
3-[2-Carboxy-2-(2,4-dinitro-phenylamino)-ethyldisulfanyl]-2-(2,4-dinitro-phenylamino)-propionic acid

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

AIDS082025 [DBID]
AIDS-082025 [DBID]
NSC505719 [DBID]
NSC677474 [DBID]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 901.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 137.3±3.0 kJ/mol
Flash Point: 498.9±34.3 °C
Index of Refraction: 1.772
Molar Refractivity: 133.4±0.3 cm3
#H bond acceptors: 18
#H bond donors: 4
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 5.84
ACD/LogD (pH 5.5): -0.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 333 Å2
Polarizability: 52.9±0.5 10-24cm3
Surface Tension: 102.9±3.0 dyne/cm
Molar Volume: 320.6±3.0 cm3

Click to predict properties on the Chemicalize site


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