ChemSpider 2D Image | N-Acetyl-S-[(5,10-dihydroxy-4,9-dimethoxy-6-oxo-7,8,9,11-tetrahydro-6H-benzo[b]fluoren-2-yl)methyl]-L-cysteine | C25H27NO8S

N-Acetyl-S-[(5,10-dihydroxy-4,9-dimethoxy-6-oxo-7,8,9,11-tetrahydro-6H-benzo[b]fluoren-2-yl)methyl]-L-cysteine

  • Molecular FormulaC25H27NO8S
  • Average mass501.549 Da
  • Monoisotopic mass501.145752 Da
  • ChemSpider ID140948

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

L-Cysteine, N-acetyl-S-[(7,8,9,11-tetrahydro-5,10-dihydroxy-4,9-dimethoxy-6-oxo-6H-benzo[b]fluoren-2-yl)methyl]- [ACD/Index Name]
N-Acetyl-S-[(5,10-dihydroxy-4,9-dimethoxy-6-oxo-7,8,9,11-tetrahydro-6H-benzo[b]fluoren-2-yl)methyl]-L-cystein [German] [ACD/IUPAC Name]
N-Acetyl-S-[(5,10-dihydroxy-4,9-dimethoxy-6-oxo-7,8,9,11-tetrahydro-6H-benzo[b]fluoren-2-yl)methyl]-L-cysteine [ACD/IUPAC Name]
N-Acétyl-S-[(5,10-dihydroxy-4,9-diméthoxy-6-oxo-7,8,9,11-tétrahydro-6H-benzo[b]fluorén-2-yl)méthyl]-L-cystéine [French] [ACD/IUPAC Name]
(2R)-3-[({5,10-DIHYDROXY-4,9-DIMETHOXY-6-OXO-6H,7H,8H,9H,11H-CYCLOHEXA[B]FLUOREN-2-YL}METHYL)SULFANYL]-2-ACETAMIDOPROPANOIC ACID
(2R)-3-[({5,10-DIHYDROXY-4,9-DIMETHOXY-6-OXO-7H,8H,9H,11H-CYCLOHEXA[B]FLUOREN-2-YL}METHYL)SULFANYL]-2-ACETAMIDOPROPANOIC ACID
154163-82-3 [RN]
Cysfluoretin
L-Cysteine, N-acetyl-S-((7,8,9,11-tetrahydro-5,10-dihydroxy-4,9-dimethoxy-6-oxo-6H-benzo(b)fluoren-2-yl)methyl)-

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 789.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.5±3.0 kJ/mol
Flash Point: 431.5±32.9 °C
Index of Refraction: 1.679
Molar Refractivity: 127.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 2.55
ACD/LogD (pH 5.5): 0.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.27
ACD/LogD (pH 7.4): -0.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 168 Å2
Polarizability: 50.6±0.5 10-24cm3
Surface Tension: 79.5±5.0 dyne/cm
Molar Volume: 337.9±5.0 cm3

Click to predict properties on the Chemicalize site


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