ChemSpider 2D Image | (2S,3S,5S)-5-{[(1S,3S)-3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl]oxy}-2-methyltetrahydro-3-furancarbaldehyde | C27H26O10

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

  • Molecular FormulaC27H26O10
  • Average mass510.489 Da
  • Monoisotopic mass510.152588 Da
  • ChemSpider ID113136

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2S,3S,5S)-5-{[(1S,3S)-3-Acetyl-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-Acetyl-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]
(2S,3S,5S)-5-{[(1S,3S)-3-Acétyl-3,5,12-trihydroxy-10-méthoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tétracényl]oxy}-2-méthyltétrahydro-3-furanecarbaldéhyde [French] [ACD/IUPAC Name]
3-Furancarboxaldehyde, 5-[[(1S,3S)-3-acetyl-1,2,3,4,6,11-hexahydro-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1-naphthacenyl]oxy]tetrahydro-2-methyl-, (2S,3S,5S)- [ACD/Index Name]
(2S,3S,5S)-5-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyloxolane-3-carbaldehyde
(2S,3S,5S)-5-{[(1S,3S)-3-ACETYL-3,5,12-TRIHYDROXY-10-METHOXY-6,11-DIOXO-1,2,3,4,6,11-HEXAHYDROTETRACEN-1-YL]OXY}-2-METHYLOXOLANE-3-CARBALDEHYDE
(2S,3S,5S)-5-{[(1S,3S)-3-ACETYL-3,5,12-TRIHYDROXY-10-METHOXY-6,11-DIOXO-2,4-DIHYDRO-1H-TETRACEN-1-YL]OXY}-2-METHYLOXOLANE-3-CARBALDEHYDE
3-Furancarboxaldehyde, 5-((3-acetyl-1,2,3,4,6,11-hexahydro-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1-naphthacenyl)oxy)tetrahydro-2-methyl-, (2S-(2α,3α,5β(1R*,3R*)))-
5-((3-Acetyl-1,2,3,4,6,11-hexahydro-3,5,12-trihydroxy-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)daunomycinone
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 732.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.2±3.0 kJ/mol
Flash Point: 247.0±26.4 °C
Index of Refraction: 1.670
Molar Refractivity: 125.2±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 3.32
ACD/LogD (pH 5.5): 2.84
ACD/BCF (pH 5.5): 84.36
ACD/KOC (pH 5.5): 826.74
ACD/LogD (pH 7.4): 2.37
ACD/BCF (pH 7.4): 28.52
ACD/KOC (pH 7.4): 279.47
Polar Surface Area: 157 Å2
Polarizability: 49.6±0.5 10-24cm3
Surface Tension: 80.0±5.0 dyne/cm
Molar Volume: 335.1±5.0 cm3

Click to predict properties on the Chemicalize site


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