ChemSpider 2D Image | 2-{4-[(3-Amino-2,3,6-trideoxyhexopyranosyl)oxy]-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-2-tetracenyl}-2-oxoethyl phenylacetate | C35H35NO12

2-{4-[(3-Amino-2,3,6-trideoxyhexopyranosyl)oxy]-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-2-tetracenyl}-2-oxoethyl phenylacetate

  • Molecular FormulaC35H35NO12
  • Average mass661.652 Da
  • Monoisotopic mass661.215942 Da
  • ChemSpider ID374330

More details:

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

2-{4-[(3-Amino-2,3,6-trideoxyhexopyranosyl)oxy]-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-2-tetracenyl}-2-oxoethyl phenylacetate [ACD/IUPAC Name]
2-{4-[(3-Amino-2,3,6-tridesoxyhexopyranosyl)oxy]-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-2-tetracenyl}-2-oxoethyl-phenylacetat [German] [ACD/IUPAC Name]
Benzeneacetic acid, 2-[4-[(3-amino-2,3,6-trideoxyhexopyranosyl)oxy]-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenyl]-2-oxoethyl ester [ACD/Index Name]
Phénylacétate de 2-{4-[(3-amino-2,3,6-tridésoxyhexopyranosyl)oxy]-2,5,12-trihydroxy-7-méthoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-2-tétracényl}-2-oxoéthyle [French] [ACD/IUPAC Name]
41962-30-5 [RN]

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

NSC149582 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 871.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 132.7±3.0 kJ/mol
Flash Point: 480.8±34.3 °C
Index of Refraction: 1.693
Molar Refractivity: 165.8±0.4 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 4
ACD/LogP: 5.79
ACD/LogD (pH 5.5): 0.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.62
ACD/LogD (pH 7.4): 1.93
ACD/BCF (pH 7.4): 6.65
ACD/KOC (pH 7.4): 43.92
Polar Surface Area: 212 Å2
Polarizability: 65.7±0.5 10-24cm3
Surface Tension: 86.3±5.0 dyne/cm
Molar Volume: 432.2±5.0 cm3

Click to predict properties on the Chemicalize site


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