ChemSpider 2D Image | (2S,3S,5S)-5-{[(1S,3S)-3-Glycoloyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl]oxy}-2-methyltetrahydro-3-furancarbaldehyde | C27H26O11

(2S,3S,5S)-5-{[(1S,3S)-3-Glycoloyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl]oxy}-2-methyltetrahydro-3-furancarbaldehyde

  • Molecular FormulaC27H26O11
  • Average mass526.489 Da
  • Monoisotopic mass526.147522 Da
  • ChemSpider ID113173

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2S,3S,5S)-2-Méthyl-5-{[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacétyl)-10-méthoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tétracényl]oxy}tétrahydro-3-furanecarbaldéhyde [French] [ACD/IUPAC Name]
(2S,3S,5S)-5-{[(1S,3S)-3-Glycoloyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl]oxy}-2-methyltetrahydro-3-furancarbaldehyd [German] [ACD/IUPAC Name]
(2S,3S,5S)-5-{[(1S,3S)-3-Glycoloyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl]oxy}-2-methyltetrahydro-3-furancarbaldehyde [ACD/IUPAC Name]
3-Furancarboxaldehyde, 5-[[(1S,3S)-1,2,3,4,6,11-hexahydro-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-1-naphthacenyl]oxy]tetrahydro-2-methyl-, (2S,3S,5S)- [ACD/Index Name]
100349-06-2 [RN]
3-Furancarboxaldehyde, 5-((1,2,3,4,6,11-hexahydro-3,5,12-trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1-naphthacenyl)oxy)tetrahydro-2-methyl-, (2S-(2α,3α,5β(1R*,3R*)))-
5-((1,2,3,4,6,11-Hexahydro-3,5,12-trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1-naphthacenyl)oxy)tetrahydro-2-methyl-3-furancarboxaldehyde (2S-(2α,3α,5β(1R*,3R*)))-
7-O-(2,3,5-Trideoxy-3-C-formylpentafuranosyl)adriamycinone
7-O-(2,3,5-Trideoxy-3-C-formyl-α-L-threo-pentafuranosyl)doxomycinone
7-Tfpa

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

Density: 1.6±0.1 g/cm3
Boiling Point: 773.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.1±3.0 kJ/mol
Flash Point: 260.6±26.4 °C
Index of Refraction: 1.688
Molar Refractivity: 126.7±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 3.23
ACD/LogD (pH 5.5): 2.14
ACD/BCF (pH 5.5): 24.75
ACD/KOC (pH 5.5): 343.58
ACD/LogD (pH 7.4): 1.65
ACD/BCF (pH 7.4): 7.98
ACD/KOC (pH 7.4): 110.75
Polar Surface Area: 177 Å2
Polarizability: 50.2±0.5 10-24cm3
Surface Tension: 88.5±5.0 dyne/cm
Molar Volume: 332.3±5.0 cm3

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