ChemSpider 2D Image | Detorubicin | C33H39NO14

Detorubicin

  • Molecular FormulaC33H39NO14
  • Average mass673.661 Da
  • Monoisotopic mass673.237061 Da
  • ChemSpider ID5292890
  • defined stereocentres - 6 of 6 defined stereocentres


More details:






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

2-((2S,4S)-4-((3-Amino-2,3,6-trideoxy-a-L-lyxo-hexopyranosyl)oxy)-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-2-tetracenyl)-2-oxoethyl Diethoxyacetate
2-{(2S,4S)-4-[(3-Amino-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl)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-{(2S,4S)-4-[(3-Amino-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl)oxy]-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-2-yl}-2-oxoethyl diethoxyacetate
2-{(2S,4S)-4-[(3-Amino-2,3,6-tridesoxy-α-L-lyxo-hexopyranosyl)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]
4611
66211-92-5 [RN]
822EC3XEJZ
Acetic acid, 2,2-diethoxy-, 2-[(2S,4S)-4-[(3-amino-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl)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]
Detorubicin [INN]
Diéthoxyacétate de 2-{(2S,4S)-4-[(3-amino-2,3,6-tridésoxy-α-L-lyxo-hexopyranosyl)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]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

RP 33921 [DBID]
BRN 4637868 [DBID]
RP-33921 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

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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