ChemSpider 2D Image | (1S,3S)-3-Glycoloyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 2,6-dideoxy-2-fluoro-alpha-L-talopyranoside | C27H27FO12

(1S,3S)-3-Glycoloyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 2,6-dideoxy-2-fluoro-α-L-talopyranoside

  • Molecular FormulaC27H27FO12
  • Average mass562.495 Da
  • Monoisotopic mass562.148682 Da
  • ChemSpider ID111171

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1S,3S)-3-Glycoloyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 2,6-dideoxy-2-fluoro-α-L-talopyranoside [ACD/IUPAC Name]
(1S,3S)-3-Glycoloyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl-2,6-didesoxy-2-fluor-α-L-talopyranosid [German] [ACD/IUPAC Name]
2,6-Didésoxy-2-fluoro-α-L-talopyranoside de (1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacétyl)-10-méthoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tétracényle [French] [ACD/IUPAC Name]
5,12-Naphthacenedione, 10-((2,6-dideoxy-2-fluoro-α-L-talopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, (8S-cis)-
5,12-Naphthacenedione, 10-[(2,6-dideoxy-2-fluoro-α-L-talopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-, (8S,10S)- [ACD/Index Name]
103930-51-4 [RN]
7-O-(2,6-Dideoxy-2-fluorotalopyranose)adriamycinone
DFTA
FT-Adm

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

Density: 1.7±0.1 g/cm3
Boiling Point: 820.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 125.0±3.0 kJ/mol
Flash Point: 449.7±34.3 °C
Index of Refraction: 1.698
Molar Refractivity: 129.5±0.4 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 3.81
ACD/LogD (pH 5.5): 1.68
ACD/BCF (pH 5.5): 11.11
ACD/KOC (pH 5.5): 193.68
ACD/LogD (pH 7.4): 1.19
ACD/BCF (pH 7.4): 3.58
ACD/KOC (pH 7.4): 62.30
Polar Surface Area: 200 Å2
Polarizability: 51.3±0.5 10-24cm3
Surface Tension: 95.3±5.0 dyne/cm
Molar Volume: 335.9±5.0 cm3

Click to predict properties on the Chemicalize site


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