ChemSpider 2D Image | 1-Hydroxy-3-methyl-7,12-dioxo-7,12-dihydro-8-tetraphenyl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-{(2S,5S,6S)-5-[(2,6-dideoxy-4-O-{2,6-dideoxy-3-O-[(2S,5S,6S)-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]-beta- D-arabino-hexopyranosyl}-beta-D-arabino-hexopyranosyl)oxy]-6-methyltetrahydro-2H-pyran-2-yl}-beta-D-arabino-hexopyranosyl)-beta-D-arabino-hexopyranoside | C55H72O20

1-Hydroxy-3-methyl-7,12-dioxo-7,12-dihydro-8-tetraphenyl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-{(2S,5S,6S)-5-[(2,6-dideoxy-4-O-{2,6-dideoxy-3-O-[(2S,5S,6S)-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]-β- D-arabino-hexopyranosyl}-β-D-arabino-hexopyranosyl)oxy]-6-methyltetrahydro-2H-pyran-2-yl}-β-D-arabino-hexopyranosyl)-β-D-arabino-hexopyranoside

  • Molecular FormulaC55H72O20
  • Average mass1053.148 Da
  • Monoisotopic mass1052.461670 Da
  • ChemSpider ID26383922

  • defined stereocentres - 22 of 22 defined stereocentres

More details:

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

1-Hydroxy-3-methyl-7,12-dioxo-7,12-dihydro-8-tetraphenyl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-{(2S,5S,6S)-5-[(2,6-dideoxy-4-O-{2,6-dideoxy-3-O-[(2S,5S,6S)-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]-β- D-arabino-hexopyranosyl}-β-D-arabino-hexopyranosyl)oxy]-6-methyltetrahydro-2H-pyran-2-yl}-β-D-arabino-hexopyranosyl)-β-D-arabino-hexopyranoside [ACD/IUPAC Name]
1-Hydroxy-3-methyl-7,12-dioxo-7,12-dihydro-8-tetraphenyl-2,6-didesoxy-4-O-(2,6-didesoxy-3-O-{(2S,5S,6S)-5-[(2,6-didesoxy-4-O-{2,6-didesoxy-3-O-[(2S,5S,6S)-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]-b ;η-D-arabino-hexopyranosyl}-β-D-arabino-hexopyranosyl)oxy]-6-methyltetrahydro-2H-pyran-2-yl}-β-D-arabino-hexopyranosyl)-β-D-arabino-hexopyranosid [German] [ACD/IUPAC Name]
2,6-Didésoxy-4-O-(2,6-didésoxy-3-O-{(2S,5S,6S)-5-[(2,6-didésoxy-4-O-{2,6-didésoxy-3-O-[(2S,5S,6S)-5-hydroxy-6-méthyltétrahydro-2H-pyran-2-yl]-β-D-arabino-hexopyranosyl}-β-D-arabino-hexopyranosyl )oxy]-6-méthyltétrahydro-2H-pyran-2-yl}-β-D-arabino-hexopyranosyl)-β-D-arabino-hexopyranoside de 1-hydroxy-3-méthyl-7,12-dioxo-7,12-dihydro-8-tétraphényle [French] [ACD/IUPAC Name]
Benz[a]anthracene-7,12-dione, 8-[[2,6-dideoxy-4-O-[2,6-dideoxy-3-O-[(2S,5S,6S)-5-[[2,6-dideoxy-4-O-[2,6-dideoxy-3-O-[(2S,5S,6S)-tetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl]-β-D-arabino-hexopyranosy l]-β-D-arabino-hexopyranosyl]oxy]tetrahydro-6-methyl-2H-pyran-2-yl]-β-D-arabino-hexopyranosyl]-β-D-arabino-hexopyranosyl]oxy]-1-hydroxy-3-methyl- [ACD/Index Name]
Landomycin T

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.638
Molar Refractivity: 265.1±0.4 cm3
#H bond acceptors: 20
#H bond donors: 6
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 3.10
ACD/LogD (pH 5.5): 3.01
ACD/BCF (pH 5.5): 114.99
ACD/KOC (pH 5.5): 1038.17
ACD/LogD (pH 7.4): 2.92
ACD/BCF (pH 7.4): 93.52
ACD/KOC (pH 7.4): 844.35
Polar Surface Area: 266 Å2
Polarizability: 105.1±0.5 10-24cm3
Surface Tension: 70.9±5.0 dyne/cm
Molar Volume: 737.9±5.0 cm3

Click to predict properties on the Chemicalize site


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