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Search term: 78443727 (Found by CSID)
ChemSpider 2D Image | Methyl (1R,2R,4S)-4-[(3-amino-2,3,6-trideoxyhexopyranosyl)oxy]-2,5,7,12-tetrahydroxy-2-methyl-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenecarboxylate | C27H29NO11

Methyl (1R,2R,4S)-4-[(3-amino-2,3,6-trideoxyhexopyranosyl)oxy]-2,5,7,12-tetrahydroxy-2-methyl-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenecarboxylate

  • Molecular FormulaC27H29NO11
  • Average mass543.519 Da
  • Monoisotopic mass543.174072 Da
  • ChemSpider ID78443727

  • defined stereocentres - 3 of 7 defined stereocentres

More details:

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

(1R,2R,4S)-4-[(3-Amino-2,3,6-tridésoxyhexopyranosyl)oxy]-2,5,7,12-tétrahydroxy-2-méthyl-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tétracènecarboxylate de méthyle [French] [ACD/IUPAC Name]
1-Naphthacenecarboxylic acid, 4-[(3-amino-2,3,6-trideoxyhexopyranosyl)oxy]-1,2,3,4,6,11-hexahydro-2,5,7,12-tetrahydroxy-2-methyl-6,11-dioxo-, methyl ester, (1R,2R,4S)- [ACD/Index Name]
Methyl (1R,2R,4S)-4-[(3-amino-2,3,6-trideoxyhexopyranosyl)oxy]-2,5,7,12-tetrahydroxy-2-methyl-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenecarboxylate [ACD/IUPAC Name]
Methyl-(1R,2R,4S)-4-[(3-amino-2,3,6-tridesoxyhexopyranosyl)oxy]-2,5,7,12-tetrahydroxy-2-methyl-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracencarboxylat [German] [ACD/IUPAC Name]
D-788-15

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

Density: 1.6±0.1 g/cm3
Boiling Point: 692.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.6±3.0 kJ/mol
Flash Point: 372.7±31.5 °C
Index of Refraction: 1.708
Molar Refractivity: 131.5±0.4 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: 3.86
ACD/LogD (pH 5.5): 0.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.70
ACD/LogD (pH 7.4): 0.48
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.21
Polar Surface Area: 206 Å2
Polarizability: 52.1±0.5 10-24cm3
Surface Tension: 95.0±5.0 dyne/cm
Molar Volume: 337.3±5.0 cm3

Click to predict properties on the Chemicalize site


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