ChemSpider 2D Image | 3-(1,2-Dihydroxyethyl)-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 | C27H29FO12

3-(1,2-Dihydroxyethyl)-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 FormulaC27H29FO12
  • Average mass564.510 Da
  • Monoisotopic mass564.164307 Da
  • ChemSpider ID2339290

  • defined stereocentres - 5 of 8 defined stereocentres

More details:

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

10-((2,6-Dideoxy-2-fluoro-α-L-talopyranosyl)oxy)-8-(1,2-dihydroxyethyl)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-naphthacenedione
2,6-Didésoxy-2-fluoro-α-L-talopyranoside de 3-(1,2-dihydroxyéthyl)-3,5,12-trihydroxy-10-méthoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tétracényle [French] [ACD/IUPAC Name]
3-(1,2-Dihydroxyethyl)-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]
3-(1,2-Dihydroxyethyl)-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]
5,12-Naphthacenedione, 10-((2,6-dideoxy-2-fluoro-α-L-talopyranosyl)oxy)-8-(1,2-dihydroxyethyl)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-
5,12-Naphthacenedione, 10-[(2,6-dideoxy-2-fluoro-α-L-talopyranosyl)oxy]-8-(1,2-dihydroxyethyl)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy- [ACD/Index Name]
129051-72-5 [RN]
7-O-(2,6-DIDEOXY-2-FLURO-A-TALOPYRANOSYL)ADRIAMYCINOL
7-O-(2,6-Dideoxy-2-fluro-α-talopyranosyl)adriamycinol
FT-Adm-OH

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

Density: 1.7±0.1 g/cm3
Boiling Point: 838.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 127.7±3.0 kJ/mol
Flash Point: 461.0±34.3 °C
Index of Refraction: 1.705
Molar Refractivity: 130.9±0.4 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 2.99
ACD/LogD (pH 5.5): 1.67
ACD/BCF (pH 5.5): 10.88
ACD/KOC (pH 5.5): 191.14
ACD/LogD (pH 7.4): 1.27
ACD/BCF (pH 7.4): 4.36
ACD/KOC (pH 7.4): 76.58
Polar Surface Area: 203 Å2
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 97.6±5.0 dyne/cm
Molar Volume: 336.9±5.0 cm3

Click to predict properties on the Chemicalize site


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