ChemSpider 2D Image | P 371A1 | C48H66N2O20

P 371A1

  • Molecular FormulaC48H66N2O20
  • Average mass991.039 Da
  • Monoisotopic mass990.420898 Da
  • ChemSpider ID8030307

  • defined stereocentres - 20 of 20 defined stereocentres

More details:

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

(1R)-1-{(1S,4aS,5S,6S,12bS)-5-Acetoxy-1-[(2,6-dideoxy-3-O-methyl-α-L-xylo-hexopyranosyl)oxy]-4a,6,8,12b-tetrahydroxy-3-methyl-7,12-dioxo-1,4,4a,5,6,7,12,12b-octahydro-9-tetraphenyl}-1,5-anhydro-3- O-{4-O-[(2S,5S,6R)-5-(carbamoylamino)-6-methyltetrahydro-2H-pyran-2-yl]-2,6-dideoxy-3-C-methyl-β-D-ribo-hexopyranosyl}-2,6-dideoxy-D-arabino-hexitol [ACD/IUPAC Name]
(1R)-1-{(1S,4aS,5S,6S,12bS)-5-Acetoxy-1-[(2,6-didesoxy-3-O-methyl-α-L-xylo-hexopyranosyl)oxy]-4a,6,8,12b-tetrahydroxy-3-methyl-7,12-dioxo-1,4,4a,5,6,7,12,12b-octahydro-9-tetraphenyl}-1,5-anhydro-3 -O-{4-O-[(2S,5S,6R)-5-(carbamoylamino)-6-methyltetrahydro-2H-pyran-2-yl]-2,6-didesoxy-3-C-methyl-β-D-ribo-hexopyranosyl}-2,6-didesoxy-D-arabino-hexitol [German] [ACD/IUPAC Name]
(1R)-1-{(1S,4aS,5S,6S,12bS)-5-Acétoxy-1-[(2,6-didésoxy-3-O-méthyl-α-L-xylo-hexopyranosyl)oxy]-4a,6,8,12b-tétrahydroxy-3-méthyl-7,12-dioxo-1,4,4a,5,6,7,12,12b-octahydro-9-tétraphényl}-1,5-anhydro-3 -O-{4-O-[(2S,5S,6R)-5-(carbamoylamino)-6-méthyltétrahydro-2H-pyran-2-yl]-2,6-didésoxy-3-C-méthyl-β-D-ribo-hexopyranosyl}-2,6-didésoxy-D-arabino-hexitol [French] [ACD/IUPAC Name]
D-arabino-Hexitol, 1-C-[(1S,4aS,5S,6S,12bS)-5-(acetyloxy)-1-[(2,6-dideoxy-3-O-methyl-α-L-xylo-hexopyranosyl)oxy]-1,4,4a,5,6,7,12,12b-octahydro-4a,6,8,12b-tetrahydroxy-3-methyl-7,12-dioxobenz[a]ant hracen-9-yl]-3-O-[4-O-[(2S,5S,6R)-5-[(aminocarbonyl)amino]tetrahydro-6-methyl-2H-pyran-2-yl]-2,6-dideoxy-3-C-methyl-β-D-ribo-hexopyranosyl]-1,5-anhydro-2,6-dideoxy-, (1R)- [ACD/Index Name]
P 371A1
P371A1

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

Density: 1.5±0.1 g/cm3
Boiling Point: 1058.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 162.4±3.0 kJ/mol
Flash Point: 594.1±34.3 °C
Index of Refraction: 1.641
Molar Refractivity: 239.9±0.4 cm3
#H bond acceptors: 22
#H bond donors: 10
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 3.41
ACD/LogD (pH 5.5): 2.60
ACD/BCF (pH 5.5): 51.53
ACD/KOC (pH 5.5): 535.35
ACD/LogD (pH 7.4): 1.27
ACD/BCF (pH 7.4): 2.40
ACD/KOC (pH 7.4): 24.94
Polar Surface Area: 331 Å2
Polarizability: 95.1±0.5 10-24cm3
Surface Tension: 77.6±5.0 dyne/cm
Molar Volume: 665.1±5.0 cm3

Click to predict properties on the Chemicalize site


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