ChemSpider 2D Image | (1R,2S,3S)-3,10,12-Trihydroxy-2-methoxy-3-methyl-4,6,11-trioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 3,6-dideoxy-alpha-L-arabino-hexopyranoside | C26H26O11

(1R,2S,3S)-3,10,12-Trihydroxy-2-methoxy-3-methyl-4,6,11-trioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 3,6-dideoxy-α-L-arabino-hexopyranoside

  • Molecular FormulaC26H26O11
  • Average mass514.478 Da
  • Monoisotopic mass514.147522 Da
  • ChemSpider ID8634544

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1R,2S,3S)-3,10,12-Trihydroxy-2-methoxy-3-methyl-4,6,11-trioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 3,6-dideoxy-α-L-arabino-hexopyranoside [ACD/IUPAC Name]
(1R,2S,3S)-3,10,12-Trihydroxy-2-methoxy-3-methyl-4,6,11-trioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl-3,6-didesoxy-α-L-arabino-hexopyranosid [German] [ACD/IUPAC Name]
1,6,11(2H)-Naphthacenetrione, 4-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]-3,4-dihydro-2,5,7-trihydroxy-3-methoxy-2-methyl-, (2S,3S,4R)- [ACD/Index Name]
3,6-Didésoxy-α-L-arabino-hexopyranoside de (1R,2S,3S)-3,10,12-trihydroxy-2-méthoxy-3-méthyl-4,6,11-trioxo-1,2,3,4,6,11-hexahydro-1-tétracényle [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 768.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 117.4±3.0 kJ/mol
Flash Point: 261.0±26.4 °C
Index of Refraction: 1.702
Molar Refractivity: 123.2±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 3
ACD/LogP: 4.37
ACD/LogD (pH 5.5): 2.16
ACD/BCF (pH 5.5): 19.53
ACD/KOC (pH 5.5): 210.78
ACD/LogD (pH 7.4): -0.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 180 Å2
Polarizability: 48.9±0.5 10-24cm3
Surface Tension: 91.8±5.0 dyne/cm
Molar Volume: 318.2±5.0 cm3

Click to predict properties on the Chemicalize site


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