Found 1 result

Search term: 32674867 (Found by CSID)
ChemSpider 2D Image | (2S)-[(2R,3S)-7-{[4-O-Acetyl-2,6-dideoxy-3-O-(2,6-dideoxy-4-O-methyl-alpha-D-lyxo-hexopyranosyl)-beta-D-lyxo-hexopyranosyl]oxy}-3-{[2,6-dideoxy-3-C-methyl-alpha-L-arabino-hexopyranosyl-(1->3)-2,6-dide oxy-beta-D-arabino-hexopyranosyl-(1->3)-2,6-dideoxy-beta-D-arabino-hexopyranosyl]oxy}-5,10-dihydroxy-6-methyl-4-oxo-1,2,3,4-tetrahydro-2-anthracenyl](methoxy)acetic acid | C52H74O24

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

  • Molecular FormulaC52H74O24
  • Average mass1083.130 Da
  • Monoisotopic mass1082.457031 Da
  • ChemSpider ID32674867

  • defined stereocentres - 23 of 23 defined stereocentres

More details:

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

(2S)-[(2R,3S)-7-{[4-O-Acetyl-2,6-dideoxy-3-O-(2,6-dideoxy-4-O-methyl-α-D-lyxo-hexopyranosyl)-β-D-lyxo-hexopyranosyl]oxy}-3-{[2,6-dideoxy-3-C-methyl-α-L-arabino-hexopyranosyl-(1->3)-2,6-dide oxy-β-D-arabino-hexopyranosyl-(1->3)-2,6-dideoxy-β-D-arabino-hexopyranosyl]oxy}-5,10-dihydroxy-6-methyl-4-oxo-1,2,3,4-tetrahydro-2-anthracenyl](methoxy)acetic acid [ACD/IUPAC Name]
(2S)-[(2R,3S)-7-{[4-O-Acetyl-2,6-didesoxy-3-O-(2,6-didesoxy-4-O-methyl-α-D-lyxo-hexopyranosyl)-β-D-lyxo-hexopyranosyl]oxy}-3-{[2,6-didesoxy-3-C-methyl-α-L-arabino-hexopyranosyl-(1->3)-2,6-d idesoxy-β-D-arabino-hexopyranosyl-(1->3)-2,6-didesoxy-β-D-arabino-hexopyranosyl]oxy}-5,10-dihydroxy-6-methyl-4-oxo-1,2,3,4-tetrahydro-2-anthracenyl](methoxy)essigsäure [German] [ACD/IUPAC Name]
2-Anthraceneacetic acid, 7-[[4-O-acetyl-2,6-dideoxy-3-O-(2,6-dideoxy-4-O-methyl-α-D-lyxo-hexopyranosyl)-β-D-lyxo-hexopyranosyl]oxy]-3-[[O-2,6-dideoxy-3-C-methyl-α-L-arabino-hexopyranosyl-(1
 ->3)-O-2,6-dideoxy-β-D-arabino-hexopyranosyl-(1->3)-2,6-dideoxy-β-D-arabino-hexopyranosyl]oxy]-1,2,3,4-tetrahydro-5,10-dihydroxy-α-methoxy-6-methyl-4-oxo-, (αS,2R,3S)- [ACD/Index Name]
Acide (2S)-[(2R,3S)-7-{[4-O-acétyl-2,6-didésoxy-3-O-(2,6-didésoxy-4-O-méthyl-α-D-lyxo-hexopyranosyl)-β-D-lyxo-hexopyranosyl]oxy}-3-{[2,6-didésoxy-3-C-méthyl-α-L-arabino-hexopyranosyl-(1->3) -2,6-didésoxy-β-D-arabino-hexopyranosyl-(1->3)-2,6-didésoxy-β-D-arabino-hexopyranosyl]oxy}-5,10-dihydroxy-6-méthyl-4-oxo-1,2,3,4-tétrahydro-2-anthracényl](méthoxy)acétique [French] [ACD/IUPAC Name]
chromomycin SA3

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

Density: 1.5±0.1 g/cm3
Boiling Point: 1117.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 172.2±3.0 kJ/mol
Flash Point: 311.8±27.8 °C
Index of Refraction: 1.620
Molar Refractivity: 261.3±0.4 cm3
#H bond acceptors: 24
#H bond donors: 8
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 1.65
ACD/LogD (pH 5.5): -1.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 333 Å2
Polarizability: 103.6±0.5 10-24cm3
Surface Tension: 72.8±5.0 dyne/cm
Molar Volume: 744.1±5.0 cm3

Click to predict properties on the Chemicalize site


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