ChemSpider 2D Image | (1S)-1-C-[(2R,3R)-7-{[4-O-Acetyl-2,6-dideoxy-3-O-(2,6-dideoxy-beta-L-arabino-hexopyranosyl)-beta-L-lyxo-hexopyranosyl]oxy}-3-{[4-O-acetyl-2,6-dideoxy-3-C-methyl-alpha-D-arabino-hexopyranosyl-(1->3)-2, 6-dideoxy-beta-D-lyxo-hexopyranosyl-(1->3)-2,6-dideoxy-alpha-L-lyxo-hexopyranosyl]oxy}-5,10-dihydroxy-6-methyl-4-oxo-1,2,3,4-tetrahydro-2-anthracenyl]-5-deoxy-1-O-methyl-D-ribulose | C56H80O26

(1S)-1-C-[(2R,3R)-7-{[4-O-Acetyl-2,6-dideoxy-3-O-(2,6-dideoxy-β-L-arabino-hexopyranosyl)-β-L-lyxo-hexopyranosyl]oxy}-3-{[4-O-acetyl-2,6-dideoxy-3-C-methyl-α-D-arabino-hexopyranosyl-(1->3)-2, 6-dideoxy-β-D-lyxo-hexopyranosyl-(1->3)-2,6-dideoxy-α-L-lyxo-hexopyranosyl]oxy}-5,10-dihydroxy-6-methyl-4-oxo-1,2,3,4-tetrahydro-2-anthracenyl]-5-deoxy-1-O-methyl-D-ribulose

  • Molecular FormulaC56H80O26
  • Average mass1169.219 Da
  • Monoisotopic mass1168.493774 Da
  • ChemSpider ID78443255

  • defined stereocentres - 25 of 25 defined stereocentres

More details:

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

(1S)-1-C-[(2R,3R)-7-{[4-O-Acetyl-2,6-dideoxy-3-O-(2,6-dideoxy-β-L-arabino-hexopyranosyl)-β-L-lyxo-hexopyranosyl]oxy}-3-{[4-O-acetyl-2,6-dideoxy-3-C-methyl-α-D-arabino-hexopyranosyl-(1->3)-2, 6-dideoxy-β-D-lyxo-hexopyranosyl-(1->3)-2,6-dideoxy-α-L-lyxo-hexopyranosyl]oxy}-5,10-dihydroxy-6-methyl-4-oxo-1,2,3,4-tetrahydro-2-anthracenyl]-5-deoxy-1-O-methyl-D-ribulose [ACD/IUPAC Name]
(1S)-1-C-[(2R,3R)-7-{[4-O-Acétyl-2,6-didésoxy-3-O-(2,6-didésoxy-β-L-arabino-hexopyranosyl)-β-L-lyxo-hexopyranosyl]oxy}-3-{[4-O-acétyl-2,6-didésoxy-3-C-méthyl-α-D-arabino-hexopyranosyl-(1->;3) -2,6-didésoxy-β-D-lyxo-hexopyranosyl-(1->3)-2,6-didésoxy-α-L-lyxo-hexopyranosyl]oxy}-5,10-dihydroxy-6-méthyl-4-oxo-1,2,3,4-tétrahydro-2-anthracényl]-5-désoxy-1-O-méthyl-D-ribulose [French] [ACD/IUPAC Name]
D-erythro-2-Pentulose, 1-C-[(2R,3R)-7-[[4-O-acetyl-2,6-dideoxy-3-O-(2,6-dideoxy-β-L-arabino-hexopyranosyl)-β-L-lyxo-hexopyranosyl]oxy]-3-[[O-4-O-acetyl-2,6-dideoxy-3-C-methyl-α-D-arabino-hex opyranosyl-(1->3)-O-2,6-dideoxy-β-D-lyxo-hexopyranosyl-(1->3)-2,6-dideoxy-α-L-lyxo-hexopyranosyl]oxy]-1,2,3,4-tetrahydro-5,10-dihydroxy-6-methyl-4-oxo-2-anthracenyl]-5-deoxy-1-O-methyl-, (1S)- [ACD/Index Name]
Demethylchromomycin A3

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

Density: 1.5±0.1 g/cm3
Boiling Point: 1162.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 180.0±3.0 kJ/mol
Flash Point: 317.5±27.8 °C
Index of Refraction: 1.619
Molar Refractivity: 281.4±0.4 cm3
#H bond acceptors: 26
#H bond donors: 9
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: 1.98
ACD/LogD (pH 5.5): 0.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.22
ACD/LogD (pH 7.4): -1.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 370 Å2
Polarizability: 111.6±0.5 10-24cm3
Surface Tension: 73.7±5.0 dyne/cm
Molar Volume: 802.6±5.0 cm3

Click to predict properties on the Chemicalize site


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