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ChemSpider 2D Image | 5,5'-Bis(hexopyranosyloxy)-4,4'-dihydroxy-10,10'-dioxo-9,9',10,10'-tetrahydro-9,9'-bianthracene-2,2'-dicarboxylic acid | C42H38O20

5,5'-Bis(hexopyranosyloxy)-4,4'-dihydroxy-10,10'-dioxo-9,9',10,10'-tetrahydro-9,9'-bianthracene-2,2'-dicarboxylic acid

  • Molecular FormulaC42H38O20
  • Average mass862.739 Da
  • Monoisotopic mass862.195618 Da
  • ChemSpider ID5010

More details:

Date of deprecation: 11:26, May 11, 2015
Reason for deprecation: Deprecate record: 12 undefined stereocentres

If you believe this record was deprecated in error, please use the Comment on this record button to contact the ChemSpider team.

Common reasons for deprecation are:
  • Chemically impossible structures (eg. incorrect valence atoms)
  • Lack of any linking data sources
  • Poor depiction of a structure that is already in ChemSpider

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

[9,9'-Bianthracene]-2,2'-dicarboxylic acid, 5,5'-bis(hexopyranosyloxy)-9,9',10,10'-tetrahydro-4,4'-dihydroxy-10,10'-dioxo- [ACD/Index Name]
5,5'-Bis(hexopyranosyloxy)-4,4'-dihydroxy-10,10'-dioxo-9,9',10,10'-tetrahydro-9,9'-bianthracen-2,2'-dicarbonsäure [German] [ACD/IUPAC Name]
5,5'-Bis(hexopyranosyloxy)-4,4'-dihydroxy-10,10'-dioxo-9,9',10,10'-tetrahydro-9,9'-bianthracene-2,2'-dicarboxylic acid [ACD/IUPAC Name]
Acide 5,5'-bis(hexopyranosyloxy)-4,4'-dihydroxy-10,10'-dioxo-9,9',10,10'-tétrahydro-9,9'-bianthracène-2,2'-dicarboxylique [French] [ACD/IUPAC Name]
208-238-9 [EINECS]
4,4'-Dihydroxy-10,10'-dioxo-5,5'-bis-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-9,10,9',10'-tetrahydro-[9,9']bianthracenyl-2,2'-dicarboxylic acid
517-43-1 [RN]
81-27-6 [RN]

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

NSC112929 [DBID]
NSC112930 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point: 1144.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 176.9±3.0 kJ/mol
Flash Point: 348.6±27.8 °C
Index of Refraction: 1.763
Molar Refractivity: 204.2±0.3 cm3
#H bond acceptors: 20
#H bond donors: 12
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 1.88
ACD/LogD (pH 5.5): -1.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 348 Å2
Polarizability: 80.9±0.5 10-24cm3
Surface Tension: 107.2±3.0 dyne/cm
Molar Volume: 494.9±3.0 cm3

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