ChemSpider 2D Image | N-Acetyl-S-(4a,8,12a,12b-tetrahydroxy-3-methyl-1,7,12-trioxo-4,4a,5,6,7,12,12a,12b-octahydro-6a(1H)-tetraphenyl)-L-cysteine | C24H25NO10S

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

  • Molecular FormulaC24H25NO10S
  • Average mass519.521 Da
  • Monoisotopic mass519.119934 Da
  • ChemSpider ID116564

  • defined stereocentres - 1 of 5 defined stereocentres

More details:

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

L-Cysteine, N-acetyl-S-(4,4a,5,6,7,12,12a,12b-octahydro-4a,8,12a,12b-tetrahydroxy-3-methyl-1,7,12-trioxobenz[a]anthracen-6a(1H)-yl)- [ACD/Index Name]
N-Acetyl-S-(4a,8,12a,12b-tetrahydroxy-3-methyl-1,7,12-trioxo-4,4a,5,6,7,12,12a,12b-octahydro-6a(1H)-tetraphenyl)-L-cystein [German] [ACD/IUPAC Name]
N-Acetyl-S-(4a,8,12a,12b-tetrahydroxy-3-methyl-1,7,12-trioxo-4,4a,5,6,7,12,12a,12b-octahydro-6a(1H)-tetraphenyl)-L-cysteine [ACD/IUPAC Name]
N-Acétyl-S-(4a,8,12a,12b-tétrahydroxy-3-méthyl-1,7,12-trioxo-4,4a,5,6,7,12,12a,12b-octahydro-6a(1H)-tétraphényl)-L-cystéine [French] [ACD/IUPAC Name]
(2R)-3-[(4A,8,12A,12B-TETRAHYDROXY-3-METHYL-1,7,12-TRIOXO-5,6-DIHYDRO-4H-TETRAPHEN-6A-YL)SULFANYL]-2-ACETAMIDOPROPANOIC ACID
136286-49-2 [RN]
L-Cysteine, N-acetyl-S-(4,4a,5,6,7,12,12a,12b-octahydro-4a,8,12a,12b-tetrahydroxy-3-methyl-1,7,12-trioxobenz(a)anthracen-6a(1H)-yl)-
WS 009A
WS009 A

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

FR 901366 [DBID]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 886.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 134.9±3.0 kJ/mol
Flash Point: 489.7±34.3 °C
Index of Refraction: 1.716
Molar Refractivity: 123.6±0.4 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 4.62
ACD/LogD (pH 5.5): 0.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.76
ACD/LogD (pH 7.4): -1.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 224 Å2
Polarizability: 49.0±0.5 10-24cm3
Surface Tension: 99.1±5.0 dyne/cm
Molar Volume: 314.2±5.0 cm3

Click to predict properties on the Chemicalize site


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