ChemSpider 2D Image | N-{[(5R)-1,5,9,14-Tetrahydroxy-7,11-dimethoxy-3-methyl-8,13-dioxo-5,6,8,13-tetrahydrobenzo[a]tetracen-2-yl]carbonyl}-D-alanine | C29H25NO11

N-{[(5R)-1,5,9,14-Tetrahydroxy-7,11-dimethoxy-3-methyl-8,13-dioxo-5,6,8,13-tetrahydrobenzo[a]tetracen-2-yl]carbonyl}-D-alanine

  • Molecular FormulaC29H25NO11
  • Average mass563.509 Da
  • Monoisotopic mass563.142761 Da
  • ChemSpider ID66253

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

D-Alanine, N-[[(5R)-5,6,8,13-tetrahydro-1,5,9,14-tetrahydroxy-7,11-dimethoxy-3-methyl-8,13-dioxobenzo[a]naphthacen-2-yl]carbonyl]- [ACD/Index Name]
N-{[(5R)-1,5,9,14-Tetrahydroxy-7,11-dimethoxy-3-methyl-8,13-dioxo-5,6,8,13-tetrahydrobenzo[a]tetracen-2-yl]carbonyl}-D-alanin [German] [ACD/IUPAC Name]
N-{[(5R)-1,5,9,14-Tetrahydroxy-7,11-dimethoxy-3-methyl-8,13-dioxo-5,6,8,13-tetrahydrobenzo[a]tetracen-2-yl]carbonyl}-D-alanine [ACD/IUPAC Name]
N-{[(5R)-1,5,9,14-Tétrahydroxy-7,11-diméthoxy-3-méthyl-8,13-dioxo-5,6,8,13-tétrahydrobenzo[a]tétracén-2-yl]carbonyl}-D-alanine [French] [ACD/IUPAC Name]
132971-64-3 [RN]
D-Alanine, N-((5,6,8,13-tetrahydro-1,5,9,14-tetrahydroxy-7,11-dimethoxy-3-me- thyl-8,13-dioxobenzo(a)naphthacen-2-yl)carbonyl)-
D-Alanine, N-((5,6,8,13-tetrahydro-1,5,9,14-tetrahydroxy-7,11-dimethoxy-3-methyl-8,13-dioxobenzo(a)naphthacen-2-yl)carbonyl)-
Pradimicin O

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

AIDS028001 [DBID]
AIDS-028001 [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: 952.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 145.3±3.0 kJ/mol
Flash Point: 530.1±34.3 °C
Index of Refraction: 1.708
Molar Refractivity: 140.7±0.3 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 4
ACD/LogP: 5.02
ACD/LogD (pH 5.5): 0.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 200 Å2
Polarizability: 55.8±0.5 10-24cm3
Surface Tension: 81.1±3.0 dyne/cm
Molar Volume: 360.6±3.0 cm3

Click to predict properties on the Chemicalize site


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