ChemSpider 2D Image | 7-(2-{(2S,4S)-4-[(2,6-Dideoxy-2-fluoro-alpha-L-talopyranosyl)oxy]-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-2-tetracenyl}-2-oxoethoxy)-7-oxoheptanoic acid | C34H37FO15

7-(2-{(2S,4S)-4-[(2,6-Dideoxy-2-fluoro-α-L-talopyranosyl)oxy]-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-2-tetracenyl}-2-oxoethoxy)-7-oxoheptanoic acid

  • Molecular FormulaC34H37FO15
  • Average mass704.647 Da
  • Monoisotopic mass704.211670 Da
  • ChemSpider ID103199

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

116521-53-0 [RN]
7-(2-{(2S,4S)-4-[(2,6-Dideoxy-2-fluoro-α-L-talopyranosyl)oxy]-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-2-tetracenyl}-2-oxoethoxy)-7-oxoheptanoic acid [ACD/IUPAC Name]
7-(2-{(2S,4S)-4-[(2,6-Didesoxy-2-fluor-α-L-talopyranosyl)oxy]-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-2-tetracenyl}-2-oxoethoxy)-7-oxoheptansäure [German] [ACD/IUPAC Name]
Acide 7-(2-{(2S,4S)-4-[(2,6-didésoxy-2-fluoro-α-L-talopyranosyl)oxy]-2,5,12-trihydroxy-7-méthoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-2-tétracényl}-2-oxoéthoxy)-7-oxoheptanoïque [French] [ACD/IUPAC Name]
Heptanedioic acid, mono[2-[(2S,4S)-4-[(2,6-dideoxy-2-fluoro-α-L-talopyranosyl)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]
7-{2-[(2S,4S)-4-{[(2R,3R,4R,5S,6S)-3-FLUORO-4,5-DIHYDROXY-6-METHYLOXAN-2-YL]OXY}-2,5,12-TRIHYDROXY-7-METHOXY-6,11-DIOXO-3,4-DIHYDRO-1H-TETRACEN-2-YL]-2-OXOETHOXY}-7-OXOHEPTANOIC ACID
7-O-(2,6-Dideoxy-2-fluoro-α-L-talopyranosyl)adriamycinone-14-O-hemipimelate
7-O-(2,6-Dideoxy-2-fluoro-α-L-talopyranosyl)pimelyladriamycinone
FT-Adm
Heptanedioic acid, mono(2-(4-((2,6-dideoxy-2-fluoro-α-L-talopyranosyl)oxy)-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenyl)-2-oxoethyl) ester, (2S-cis)-
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

FAD-104 [DBID]
ME 2303 [DBID]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 914.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 139.2±3.0 kJ/mol
Flash Point: 506.6±34.3 °C
Index of Refraction: 1.654
Molar Refractivity: 163.9±0.4 cm3
#H bond acceptors: 15
#H bond donors: 6
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 4
ACD/LogP: 5.45
ACD/LogD (pH 5.5): 2.09
ACD/BCF (pH 5.5): 14.37
ACD/KOC (pH 5.5): 135.14
ACD/LogD (pH 7.4): -0.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 244 Å2
Polarizability: 65.0±0.5 10-24cm3
Surface Tension: 85.5±5.0 dyne/cm
Molar Volume: 447.4±5.0 cm3

Click to predict properties on the Chemicalize site


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