ChemSpider 2D Image | 4-[(3-sec-Butyl-9,14,15-trihydroxy-8-methoxy-1,5,10,13,16-pentaoxo-5,10,13,16-tetrahydrotetraceno[2,1-g]isoquinolin-2(1H)-yl)acetyl]-5-methyl-6-oxo-2-piperazinecarboxylic acid | C38H31N3O13

4-[(3-sec-Butyl-9,14,15-trihydroxy-8-methoxy-1,5,10,13,16-pentaoxo-5,10,13,16-tetrahydrotetraceno[2,1-g]isoquinolin-2(1H)-yl)acetyl]-5-methyl-6-oxo-2-piperazinecarboxylic acid

  • Molecular FormulaC38H31N3O13
  • Average mass737.665 Da
  • Monoisotopic mass737.185669 Da
  • ChemSpider ID78444580

More details:

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

2-Piperazinecarboxylic acid, 5-methyl-6-oxo-4-[2-[5,10,13,16-tetrahydro-9,14,15-trihydroxy-8-methoxy-3-(1-methylpropyl)-1,5,10,13,16-pentaoxonaphthaceno[2,1-g]isoquinolin-2(1H)-yl]acetyl]- [ACD/Index Name]
4-[(3-sec-Butyl-9,14,15-trihydroxy-8-methoxy-1,5,10,13,16-pentaoxo-5,10,13,16-tetrahydrotetraceno[2,1-g]isochinolin-2(1H)-yl)acetyl]-5-methyl-6-oxo-2-piperazincarbonsäure [German] [ACD/IUPAC Name]
4-[(3-sec-Butyl-9,14,15-trihydroxy-8-methoxy-1,5,10,13,16-pentaoxo-5,10,13,16-tetrahydrotetraceno[2,1-g]isoquinolin-2(1H)-yl)acetyl]-5-methyl-6-oxo-2-piperazinecarboxylic acid [ACD/IUPAC Name]
Acide 4-[2-(3-sec-butyl-9,14,15-trihydroxy-8-méthoxy-1,5,10,13,16-pentaoxo-5,10,13,16-tétrahydrotétracéno[2,1-g]isoquinoléin-2(1H)-yl)acétyl]-5-méthyl-6-oxo-2-pipérazinecarboxylique [French] [ACD/IUPAC Name]
tln-05220

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

Density: 1.7±0.1 g/cm3
Boiling Point: 1086.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 167.0±3.0 kJ/mol
Flash Point: 610.7±34.3 °C
Index of Refraction: 1.782
Molar Refractivity: 184.0±0.4 cm3
#H bond acceptors: 16
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 2.28
ACD/LogD (pH 5.5): -0.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.87
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 245 Å2
Polarizability: 72.9±0.5 10-24cm3
Surface Tension: 104.9±5.0 dyne/cm
Molar Volume: 437.7±5.0 cm3

Click to predict properties on the Chemicalize site


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