ChemSpider 2D Image | N-Acetyl-S-(4a,6,8,12a,12b-pentahydroxy-3-methyl-1,7,12-trioxo-4,4a,5,6,7,12,12a,12b-octahydro-6a(1H)-tetraphenyl)cysteine | C24H25NO11S

N-Acetyl-S-(4a,6,8,12a,12b-pentahydroxy-3-methyl-1,7,12-trioxo-4,4a,5,6,7,12,12a,12b-octahydro-6a(1H)-tetraphenyl)cysteine

  • Molecular FormulaC24H25NO11S
  • Average mass535.520 Da
  • Monoisotopic mass535.114807 Da
  • ChemSpider ID9931638

More details:

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

Cysteine, N-acetyl-S-(4,4a,5,6,7,12,12a,12b-octahydro-4a,6,8,12a,12b-pentahydroxy-3-methyl-1,7,12-trioxobenz[a]anthracen-6a(1H)-yl)- [ACD/Index Name]
N-Acetyl-S-(4a,6,8,12a,12b-pentahydroxy-3-methyl-1,7,12-trioxo-4,4a,5,6,7,12,12a,12b-octahydro-6a(1H)-tetraphenyl)cystein [German] [ACD/IUPAC Name]
N-Acetyl-S-(4a,6,8,12a,12b-pentahydroxy-3-methyl-1,7,12-trioxo-4,4a,5,6,7,12,12a,12b-octahydro-6a(1H)-tetraphenyl)cysteine [ACD/IUPAC Name]
N-Acétyl-S-(4a,6,8,12a,12b-pentahydroxy-3-méthyl-1,7,12-trioxo-4,4a,5,6,7,12,12a,12b-octahydro-6a(1H)-tétraphényl)cystéine [French] [ACD/IUPAC Name]
WS 009 B

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

Density: 1.7±0.1 g/cm3
Boiling Point: 930.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 141.8±3.0 kJ/mol
Flash Point: 516.7±34.3 °C
Index of Refraction: 1.734
Molar Refractivity: 125.1±0.4 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 4
ACD/LogP: 5.29
ACD/LogD (pH 5.5): 0.80
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.03
ACD/LogD (pH 7.4): -0.98
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 244 Å2
Polarizability: 49.6±0.5 10-24cm3
Surface Tension: 108.1±5.0 dyne/cm
Molar Volume: 312.1±5.0 cm3

Click to predict properties on the Chemicalize site


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