ChemSpider 2D Image | 11-O-Demethylpradimicinone II | C27H21NO12

11-O-Demethylpradimicinone II

  • Molecular FormulaC27H21NO12
  • Average mass551.455 Da
  • Monoisotopic mass551.106384 Da
  • ChemSpider ID389959

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

11-O-Demethylpradimicinone II
Alanine, N-[[(5S,6S)-5,6,8,13-tetrahydro-1,5,6,7,9,11,14-heptahydroxy-3-methyl-8,13-dioxobenzo[a]naphthacen-2-yl]carbonyl]- [ACD/Index Name]
N-{[(5S,6S)-1,5,6,7,9,11,14-Heptahydroxy-3-methyl-8,13-dioxo-5,6,8,13-tetrahydrobenzo[a]tetracen-2-yl]carbonyl}alanin [German] [ACD/IUPAC Name]
N-{[(5S,6S)-1,5,6,7,9,11,14-Heptahydroxy-3-methyl-8,13-dioxo-5,6,8,13-tetrahydrobenzo[a]tetracen-2-yl]carbonyl}alanine [ACD/IUPAC Name]
N-{[(5S,6S)-1,5,6,7,9,11,14-Heptahydroxy-3-méthyl-8,13-dioxo-5,6,8,13-tétrahydrobenzo[a]tétracén-2-yl]carbonyl}alanine [French] [ACD/IUPAC Name]
Benamicin C

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

C06778 [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: 955.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 145.7±3.0 kJ/mol
Flash Point: 531.7±34.3 °C
Index of Refraction: 1.814
Molar Refractivity: 132.6±0.3 cm3
#H bond acceptors: 13
#H bond donors: 9
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 3
ACD/LogP: 4.66
ACD/LogD (pH 5.5): -0.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.96
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 242 Å2
Polarizability: 52.6±0.5 10-24cm3
Surface Tension: 118.1±3.0 dyne/cm
Molar Volume: 306.5±3.0 cm3

Click to predict properties on the Chemicalize site


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