ChemSpider 2D Image | Methyl (6R,6aS,14aR)-11-amino-1,6,8,14a-tetrahydroxy-6a-methoxy-3-methyl-7,9,12,14-tetraoxo-5,6,6a,7,9,12,14,14a-octahydrobenzo[a]tetracene-2-carboxylate | C26H21NO11

Methyl (6R,6aS,14aR)-11-amino-1,6,8,14a-tetrahydroxy-6a-methoxy-3-methyl-7,9,12,14-tetraoxo-5,6,6a,7,9,12,14,14a-octahydrobenzo[a]tetracene-2-carboxylate

  • Molecular FormulaC26H21NO11
  • Average mass523.445 Da
  • Monoisotopic mass523.111450 Da
  • ChemSpider ID2340119

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(6R,6aS,14aR)-11-Amino-1,6,8,14a-tétrahydroxy-6a-méthoxy-3-méthyl-7,9,12,14-tétraoxo-5,6,6a,7,9,12,14,14a-octahydrobenzo[a]tétracène-2-carboxylate de méthyle [French] [ACD/IUPAC Name]
Benzo(a)naphthacene-2-carboxylic acid, 11-amino-5,6,6a,7,9,12,14,14a-octahydro-1,6,8,14a-tetrahydroxy-6a-methoxy-3-methyl-7,9,12,14-tetraoxo-, methyl ester, (6α,6aβ,14aβ)-
Benzo[a]naphthacene-2-carboxylic acid, 11-amino-5,6,6a,7,9,12,14,14a-octahydro-1,6,8,14a-tetrahydroxy-6a-methoxy-3-methyl-7,9,12,14-tetraoxo-, methyl ester, (6R,6aS,14aR)- [ACD/Index Name]
Methyl (6R,6aS,14aR)-11-amino-1,6,8,14a-tetrahydroxy-6a-methoxy-3-methyl-7,9,12,14-tetraoxo-5,6,6a,7,9,12,14,14a-octahydrobenzo[a]tetracene-2-carboxylate [ACD/IUPAC Name]
Methyl (6α,6aβ,14aβ)-11-amino-5,6,6a,7,9,12,14,14a-octahydro-1,6,8,14a-tetrahydroxy-6a-methoxy-3-methyl-7,9,12,14-tetraoxobenzo(a)naphthacene-2-carboxylate
Methyl-(6R,6aS,14aR)-11-amino-1,6,8,14a-tetrahydroxy-6a-methoxy-3-methyl-7,9,12,14-tetraoxo-5,6,6a,7,9,12,14,14a-octahydrobenzo[a]tetracen-2-carboxylat [German] [ACD/IUPAC Name]
115834-24-7 [RN]
Methyl 11-amino-5,6,6a,7,9,12,14,14a-octahydro-1,6,8,14a-tetrahydroxy-6a-methoxy-3-methyl-7,9,12,14-tetraoxobenzo(a)naphthacene-2-carboxylate (6α,6aβ,14aβ)-
SF 2446A3
SF2446A3

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

Density: 1.7±0.1 g/cm3
Boiling Point: 902.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 137.5±3.0 kJ/mol
Flash Point: 499.7±34.3 °C
Index of Refraction: 1.756
Molar Refractivity: 123.6±0.4 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 3
ACD/LogP: 4.95
ACD/LogD (pH 5.5): 1.36
ACD/BCF (pH 5.5): 1.81
ACD/KOC (pH 5.5): 12.10
ACD/LogD (pH 7.4): 0.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.65
Polar Surface Area: 211 Å2
Polarizability: 49.0±0.5 10-24cm3
Surface Tension: 108.9±5.0 dyne/cm
Molar Volume: 301.6±5.0 cm3

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