ChemSpider 2D Image | (1S,2S,3R)-3,10,12-Trihydroxy-2,8-dimethoxy-3-methyl-4,6,11-trioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 6-deoxy-2-O-methyl-beta-D-mannopyranoside | C28H30O13

(1S,2S,3R)-3,10,12-Trihydroxy-2,8-dimethoxy-3-methyl-4,6,11-trioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 6-deoxy-2-O-methyl-β-D-mannopyranoside

  • Molecular FormulaC28H30O13
  • Average mass574.530 Da
  • Monoisotopic mass574.168640 Da
  • ChemSpider ID5145031

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1S,2S,3R)-3,10,12-Trihydroxy-2,8-dimethoxy-3-methyl-4,6,11-trioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 6-deoxy-2-O-methyl-β-D-mannopyranoside [ACD/IUPAC Name]
(1S,2S,3R)-3,10,12-Trihydroxy-2,8-dimethoxy-3-methyl-4,6,11-trioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl-6-desoxy-2-O-methyl-β-D-mannopyranosid [German] [ACD/IUPAC Name]
1,6,11(2H)-Naphthacenetrione, 4-[(6-deoxy-2-O-methyl-β-D-mannopyranosyl)oxy]-3,4-dihydro-2,5,7-trihydroxy-3,9-dimethoxy-2-methyl-, (2R,3S,4S)- [ACD/Index Name]
6-Désoxy-2-O-méthyl-β-D-mannopyranoside de (1S,2S,3R)-3,10,12-trihydroxy-2,8-diméthoxy-3-méthyl-4,6,11-trioxo-1,2,3,4,6,11-hexahydro-1-tétracényle [French] [ACD/IUPAC Name]

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

NCIMech_000153 [DBID]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 813.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.0±3.0 kJ/mol
Flash Point: 269.3±27.8 °C
Index of Refraction: 1.674
Molar Refractivity: 136.0±0.4 cm3
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 4
ACD/LogP: 5.42
ACD/LogD (pH 5.5): 2.65
ACD/BCF (pH 5.5): 43.12
ACD/KOC (pH 5.5): 344.20
ACD/LogD (pH 7.4): -0.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 199 Å2
Polarizability: 53.9±0.5 10-24cm3
Surface Tension: 85.5±5.0 dyne/cm
Molar Volume: 362.4±5.0 cm3

Click to predict properties on the Chemicalize site


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