ChemSpider 2D Image | 5-Deoxy-1-C-(7-{[2,6-dideoxy-3-O-(2,6-dideoxyhexopyranosyl)hexopyranosyl]oxy}-3-{[2,6-dideoxy-3-C-methylhexopyranosyl-(1->3)-2,6-dideoxyhexopyranosyl-(1->3)-2,6-dideoxyhexopyranosyl]oxy}-5,10-dihydrox y-6-methyl-4-oxo-1,2,3,4-tetrahydro-2-anthracenyl)-1-O-methylpent-2-ulose | C52H76O24

5-Deoxy-1-C-(7-{[2,6-dideoxy-3-O-(2,6-dideoxyhexopyranosyl)hexopyranosyl]oxy}-3-{[2,6-dideoxy-3-C-methylhexopyranosyl-(1->3)-2,6-dideoxyhexopyranosyl-(1->3)-2,6-dideoxyhexopyranosyl]oxy}-5,10-dihydrox y-6-methyl-4-oxo-1,2,3,4-tetrahydro-2-anthracenyl)-1-O-methylpent-2-ulose

  • Molecular FormulaC52H76O24
  • Average mass1085.145 Da
  • Monoisotopic mass1084.472656 Da
  • ChemSpider ID200363

More details:

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

2-Pentulose, 5-deoxy-1-C-[7-[[2,6-dideoxy-3-O-(2,6-dideoxyhexopyranosyl)hexopyranosyl]oxy]-3-[[O--2,6-dideoxy-3-C-methylhexopyranosyl-(1->3)-O--2,6-dideoxyhexopyranosyl-(1->3)-2,6-dideoxyhexopyranosyl ]oxy]-1,2,3,4-tetrahydro-5,10-dihydroxy-6-methyl-4-oxo-2-anthracenyl]-1-O-methyl- [ACD/Index Name]
5-Deoxy-1-C-(7-{[2,6-dideoxy-3-O-(2,6-dideoxyhexopyranosyl)hexopyranosyl]oxy}-3-{[2,6-dideoxy-3-C-methylhexopyranosyl-(1->3)-2,6-dideoxyhexopyranosyl-(1->3)-2,6-dideoxyhexopyranosyl]oxy}-5,10-dihydrox y-6-methyl-4-oxo-1,2,3,4-tetrahydro-2-anthracenyl)-1-O-methylpent-2-ulose [ACD/IUPAC Name]
5-Desoxy-1-C-(7-{[2,6-didesoxy-3-O-(2,6-didesoxyhexopyranosyl)hexopyranosyl]oxy}-3-{[2,6-didesoxy-3-C-methylhexopyranosyl-(1->3)-2,6-didesoxyhexopyranosyl-(1->3)-2,6-didesoxyhexopyranosyl]oxy}-5,10-di hydroxy-6-methyl-4-oxo-1,2,3,4-tetrahydro-2-anthracenyl)-1-O-methylpent-2-ulose [German] [ACD/IUPAC Name]
5-Désoxy-1-C-(7-{[2,6-didésoxy-3-O-(2,6-didésoxyhexopyranosyl)hexopyranosyl]oxy}-3-{[2,6-didésoxy-3-C-méthylhexopyranosyl-(1->3)-2,6-didésoxyhexopyranosyl-(1->3)-2,6-didésoxyhexopyranosyl]oxy}-5,10-di hydroxy-6-méthyl-4-oxo-1,2,3,4-tétrahydro-2-anthracényl)-1-O-méthylpent-2-ulose [French] [ACD/IUPAC Name]
(1S)-5-Deoxy-1-C-[(2S,3S)-7-[[2,6-dideoxy-3-O-(2,6-dideoxy--D-arabino-hexopyranosyl)--D-arabino-hexopyranosyl]oxy]-3-[(O-2,6-dideoxy-3-C-methyl--D-ribo-hexopyranosyl-(1.fwdarw.3)-O-2,6-dideoxy--D-lyxo
(1S)-5-Deoxy-1-C-[(2S,3S)-7-[[2,6-dideoxy-3-O-(2,6-dideoxy--D-arabino-hexopyranosyl)--D-arabino-hexopyranosyl]oxy]-3-[(O-2,6-dideoxy-3-C-methyl--D-ribo-hexopyranosyl-(1.fwdarw.3)-O-2,6-dideoxy--D-lyxo-hexopyranosyl-(1.fwdarw.3)-2,6-dideoxy--D-arabino-hexo
5-deoxy-1-c-(7-{[2,6-dideoxy-3-o-(2,6-dideoxyhexopyranosyl)hexopyranosyl]oxy}-3-{[2,6-dideoxy-3-c-methylhexopyranosyl-(1-
Antibiotic LA 7017
Aurelic acid
aureolic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

A-2371 [DBID]
NCI60_001964 [DBID]
NSC24559 [DBID]
PA-144 [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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