ChemSpider 2D Image | 2-Oxo-2-[(2S)-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-4-({2,3,6-trideoxy-3-[(trifluoroacetyl)amino]-alpha-L-lyxo-hexopyranosyl}oxy)-1,2,3,4,6,11-hexahydro-2-tetracenyl]ethyl pivalate | C34H36F3NO13

2-Oxo-2-[(2S)-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-4-({2,3,6-trideoxy-3-[(trifluoroacetyl)amino]-α-L-lyxo-hexopyranosyl}oxy)-1,2,3,4,6,11-hexahydro-2-tetracenyl]ethyl pivalate

  • Molecular FormulaC34H36F3NO13
  • Average mass723.644 Da
  • Monoisotopic mass723.213867 Da
  • ChemSpider ID8548164

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

2-Oxo-2-[(2S)-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-4-({2,3,6-trideoxy-3-[(trifluoroacetyl)amino]-α-L-lyxo-hexopyranosyl}oxy)-1,2,3,4,6,11-hexahydro-2-tetracenyl]ethyl pivalate [ACD/IUPAC Name]
2-Oxo-2-[(2S)-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-4-({2,3,6-tridesoxy-3-[(trifluoracetyl)amino]-α-L-lyxo-hexopyranosyl}oxy)-1,2,3,4,6,11-hexahydro-2-tetracenyl]ethylpivalat [German] [ACD/IUPAC Name]
Pivalate de 2-oxo-2-[(2S)-2,5,12-trihydroxy-7-méthoxy-6,11-dioxo-4-({2,3,6-tridésoxy-3-[(2,2,2-trifluoroacétyl)amino]-α-L-lyxo-hexopyranosyl}oxy)-1,2,3,4,6,11-hexahydro-2-tétracényl]éthyle [French] [ACD/IUPAC Name]
Propanoic acid, 2,2-dimethyl-, 2-[(2S)-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-4-[[2,3,6-trideoxy-3-[(2,2,2-trifluoroacetyl)amino]-α-L-lyxo-hexopyranosyl]oxy]-2-naphthacenyl] -2-oxoethyl ester [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 858.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 130.8±3.0 kJ/mol
Flash Point: 473.1±34.3 °C
Index of Refraction: 1.618
Molar Refractivity: 164.8±0.4 cm3
#H bond acceptors: 14
#H bond donors: 5
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 4
ACD/LogP: 5.94
ACD/LogD (pH 5.5): 4.41
ACD/BCF (pH 5.5): 1321.77
ACD/KOC (pH 5.5): 5921.38
ACD/LogD (pH 7.4): 3.91
ACD/BCF (pH 7.4): 412.34
ACD/KOC (pH 7.4): 1847.24
Polar Surface Area: 215 Å2
Polarizability: 65.3±0.5 10-24cm3
Surface Tension: 71.5±5.0 dyne/cm
Molar Volume: 470.2±5.0 cm3

Click to predict properties on the Chemicalize site


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