ChemSpider 2D Image | Pradimicinone I | C28H23NO11

Pradimicinone I

  • Molecular FormulaC28H23NO11
  • Average mass549.482 Da
  • Monoisotopic mass549.127136 Da
  • ChemSpider ID389958

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

Alanine, N-[[(5S,6S)-5,6,8,13-tetrahydro-1,5,6,9,14-pentahydroxy-11-methoxy-3-methyl-8,13-dioxobenzo[a]naphthacen-2-yl]carbonyl]- [ACD/Index Name]
N-{[(5S,6S)-1,5,6,9,14-Pentahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6,8,13-tetrahydrobenzo[a]tetracen-2-yl]carbonyl}alanin [German] [ACD/IUPAC Name]
N-{[(5S,6S)-1,5,6,9,14-Pentahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6,8,13-tetrahydrobenzo[a]tetracen-2-yl]carbonyl}alanine [ACD/IUPAC Name]
N-{[(5S,6S)-1,5,6,9,14-Pentahydroxy-11-méthoxy-3-méthyl-8,13-dioxo-5,6,8,13-tétrahydrobenzo[a]tétracén-2-yl]carbonyl}alanine [French] [ACD/IUPAC Name]
Pradimicinone I

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

C06777 [DBID]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 903.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 137.6±3.0 kJ/mol
Flash Point: 500.1±34.3 °C
Index of Refraction: 1.747
Molar Refractivity: 135.6±0.3 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: 4.34
ACD/LogD (pH 5.5): -0.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 211 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 93.9±3.0 dyne/cm
Molar Volume: 333.6±3.0 cm3

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