ChemSpider 2D Image | (1S)-5-Deoxy-1-C-[(2S,3R)-7-{[2,6-dideoxy-3-O-(2,6-dideoxy-alpha-D-lyxo-hexopyranosyl)-alpha-D-lyxo-hexopyranosyl]oxy}-3-{[2,6-dideoxy-3-C-methyl-D-xylo-hexopyranosyl-(1->3)-2,6-dideoxy-alpha-D-lyxo-h exopyranosyl-(1->3)-2,6-dideoxy-alpha-D-lyxo-hexopyranosyl]oxy}-5,10-dihydroxy-6-methyl-4-oxo-1,2,3,4-tetrahydro-2-anthracenyl]-1-O-methyl-D-ribulose | C52H76O24

(1S)-5-Deoxy-1-C-[(2S,3R)-7-{[2,6-dideoxy-3-O-(2,6-dideoxy-α-D-lyxo-hexopyranosyl)-α-D-lyxo-hexopyranosyl]oxy}-3-{[2,6-dideoxy-3-C-methyl-D-xylo-hexopyranosyl-(1->3)-2,6-dideoxy-α-D-lyxo-h exopyranosyl-(1->3)-2,6-dideoxy-α-D-lyxo-hexopyranosyl]oxy}-5,10-dihydroxy-6-methyl-4-oxo-1,2,3,4-tetrahydro-2-anthracenyl]-1-O-methyl-D-ribulose

  • Molecular FormulaC52H76O24
  • Average mass1085.145 Da
  • Monoisotopic mass1084.472656 Da
  • ChemSpider ID5145186

  • defined stereocentres - 24 of 25 defined stereocentres

More details:

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

(1S)-5-Deoxy-1-C-[(2S,3R)-7-{[2,6-dideoxy-3-O-(2,6-dideoxy-α-D-lyxo-hexopyranosyl)-α-D-lyxo-hexopyranosyl]oxy}-3-{[2,6-dideoxy-3-C-methyl-D-xylo-hexopyranosyl-(1->3)-2,6-dideoxy-α-D-lyxo-h exopyranosyl-(1->3)-2,6-dideoxy-α-D-lyxo-hexopyranosyl]oxy}-5,10-dihydroxy-6-methyl-4-oxo-1,2,3,4-tetrahydro-2-anthracenyl]-1-O-methyl-D-ribulose [ACD/IUPAC Name]
(1S)-5-Désoxy-1-C-[(2S,3R)-7-{[2,6-didésoxy-3-O-(2,6-didésoxy-α-D-lyxo-hexopyranosyl)-α-D-lyxo-hexopyranosyl]oxy}-3-{[2,6-didésoxy-3-C-méthyl-D-xylo-hexopyranosyl-(1->3)-2,6-didésoxy-α-D-l yxo-hexopyranosyl-(1->3)-2,6-didésoxy-α-D-lyxo-hexopyranosyl]oxy}-5,10-dihydroxy-6-méthyl-4-oxo-1,2,3,4-tétrahydro-2-anthracényl]-1-O-méthyl-D-ribulose [French] [ACD/IUPAC Name]
D-erythro-2-Pentulose, 5-deoxy-1-C-[(2S,3R)-7-[[2,6-dideoxy-3-O-(2,6-dideoxy-α-D-lyxo-hexopyranosyl)-α-D-lyxo-hexopyranosyl]oxy]-3-[[O-2,6-dideoxy-3-C-methyl-D-xylo-hexopyranosyl-(1->3)-O-2,6- dideoxy-α-D-lyxo-hexopyranosyl-(1->3)-2,6-dideoxy-α-D-lyxo-hexopyranosyl]oxy]-1,2,3,4-tetrahydro-5,10-dihydroxy-6-methyl-4-oxo-2-anthracenyl]-1-O-methyl-, (1S)- [ACD/Index Name]

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

NCIMech_000559 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 1169.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 181.2±3.0 kJ/mol
Flash Point: 327.4±27.8 °C
Index of Refraction: 1.640
Molar Refractivity: 262.3±0.4 cm3
#H bond acceptors: 24
#H bond donors: 11
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 1.29
ACD/LogD (pH 5.5): -0.79
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.11
ACD/LogD (pH 7.4): -2.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 358 Å2
Polarizability: 104.0±0.5 10-24cm3
Surface Tension: 79.4±5.0 dyne/cm
Molar Volume: 728.3±5.0 cm3

Click to predict properties on the Chemicalize site


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