ChemSpider 2D Image | (1S,3S)-3-Acetyl-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 | C27H27FO11

(1S,3S)-3-Acetyl-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 FormulaC27H27FO11
  • Average mass546.495 Da
  • Monoisotopic mass546.153748 Da
  • ChemSpider ID111174
  • defined stereocentres - 7 of 7 defined stereocentres


More details:






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

(1S,3S)-3-Acetyl-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-Acetyl-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-acétyl-3,5,12-trihydroxy-10-méthoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tétracényle [French] [ACD/IUPAC Name]
5,12-Naphthacenedione, 8-acetyl-10-((2,6-dideoxy-2-fluoro-α-L-talopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, (8S-cis)-
5,12-Naphthacenedione, 8-acetyl-10-[(2,6-dideoxy-2-fluoro-α-L-talopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, (8S,10S)- [ACD/Index Name]
(7S,9S)-9-Acetyl-7-[(2R,3R,4R,5S,6S)-3-fluoro-4,5-dihydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
103946-11-8 [RN]
7-O-(2,6-Dideoxy-2-fluorotalopyranosyl)daunomycinone
DFTD

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

Density: 1.6±0.1 g/cm3
Boiling Point: 779.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.9±3.0 kJ/mol
Flash Point: 425.1±32.9 °C
Index of Refraction: 1.680
Molar Refractivity: 128.0±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: 3.90
ACD/LogD (pH 5.5): 2.00
ACD/BCF (pH 5.5): 19.48
ACD/KOC (pH 5.5): 289.55
ACD/LogD (pH 7.4): 1.53
ACD/BCF (pH 7.4): 6.57
ACD/KOC (pH 7.4): 97.69
Polar Surface Area: 180 Å2
Polarizability: 50.7±0.5 10-24cm3
Surface Tension: 86.3±5.0 dyne/cm
Molar Volume: 338.7±5.0 cm3

Click to predict properties on the Chemicalize site






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