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 diethoxyacetate | C33H39NO14

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 diethoxyacetate

  • Molecular FormulaC33H39NO14
  • Average mass673.661 Da
  • Monoisotopic mass673.237061 Da
  • ChemSpider ID102771

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 diethoxyacetate [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-diethoxyacetat [German] [ACD/IUPAC Name]
Acetic acid, 2,2-diethoxy-, 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]
Diéthoxyacétate 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]
Detorubicin [INN]
Detorubicina [Spanish] [INN]
Detorubicine [French] [INN]
Detorubicinum [Latin]
Glyoxylic acid 3(sup 2)-ester with doxorubicin, 2-(diethyl acetal)

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

BRN 4637868 [DBID]
NSC292652 [DBID]
RP 33921 [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: 860.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.0±3.0 kJ/mol
Flash Point: 474.1±34.3 °C
Index of Refraction: 1.643
Molar Refractivity: 163.1±0.4 cm3
#H bond acceptors: 15
#H bond donors: 6
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 4
ACD/LogP: 6.25
ACD/LogD (pH 5.5): 0.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.40
ACD/LogD (pH 7.4): 1.17
ACD/BCF (pH 7.4): 1.76
ACD/KOC (pH 7.4): 16.93
Polar Surface Area: 231 Å2
Polarizability: 64.7±0.5 10-24cm3
Surface Tension: 78.7±5.0 dyne/cm
Molar Volume: 450.7±5.0 cm3

Click to predict properties on the Chemicalize site


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