ChemSpider 2D Image | Sennidin A | C30H18O10

Sennidin A

  • Molecular FormulaC30H18O10
  • Average mass538.458 Da
  • Monoisotopic mass538.090027 Da
  • ChemSpider ID83795

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(9R,9'R)-4,4',5,5'-Tetrahydroxy-10,10'-dioxo-9,9',10,10'-tetrahydro-9,9'-bianthracen-2,2'-dicarbonsäure [German] [ACD/IUPAC Name]
(9R,9'R)-4,4',5,5'-Tetrahydroxy-10,10'-dioxo-9,9',10,10'-tetrahydro-9,9'-bianthracene-2,2'-dicarboxylic acid [ACD/IUPAC Name]
[9,9'-Bianthracene]-2,2'-dicarboxylic acid, 9,9',10,10'-tetrahydro-4,4',5,5'-tetrahydroxy-10,10'-dioxo-, (9R,9'R)- [ACD/Index Name]
641-12-3 [RN]
Acide (9R,9'R)-4,4',5,5'-tétrahydroxy-10,10'-dioxo-9,9',10,10'-tétrahydro-9,9'-bianthracène-2,2'-dicarboxylique [French] [ACD/IUPAC Name]
Sennidin A
(9R)-9-[(9R)-2-carboxy-4,5-dihydroxy-10-keto-9H-anthracen-9-yl]-4,5-dihydroxy-10-keto-9H-anthracene-2-carboxylic acid
(9R)-9-[(9R)-2-carboxy-4,5-dihydroxy-10-oxo-9H-anthracen-9-yl]-4,5-dihydroxy-10-oxo-9H-anthracene-2-carboxylic acid
(9R,9'R)-4,4',5,5'-TETRAHYDROXY-10,10'-DIOXO-9H,9'H,10H,10'H-[9,9'-BIANTHRACENE]-2,2'-DICARBOXYLIC ACID
(9R,9'R)-4,4',5,5'-TETRAHYDROXY-10,10'-DIOXO-9H,9'H-[9,9'-BIANTHRACENE]-2,2'-DICARBOXYLIC ACID
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

O8793FIM31 [DBID]
UNII:O8793FIM31 [DBID]
UNII-O8793FIM31 [DBID]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 801.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.3±3.0 kJ/mol
Flash Point: 452.6±30.8 °C
Index of Refraction: 1.806
Molar Refractivity: 136.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 4
ACD/LogP: 8.24
ACD/LogD (pH 5.5): 3.48
ACD/BCF (pH 5.5): 30.36
ACD/KOC (pH 5.5): 31.77
ACD/LogD (pH 7.4): 2.46
ACD/BCF (pH 7.4): 2.91
ACD/KOC (pH 7.4): 3.04
Polar Surface Area: 190 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 101.2±3.0 dyne/cm
Molar Volume: 317.6±3.0 cm3

Click to predict properties on the Chemicalize site


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