ChemSpider 2D Image | (+)-Oxanthromicin | C36H30O12

(+)-Oxanthromicin

  • Molecular FormulaC36H30O12
  • Average mass654.616 Da
  • Monoisotopic mass654.173706 Da
  • ChemSpider ID128974
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(+)-Oxanthromicin
(10R,10'R)-10,10'-Dioxybis(3,8-dihydroxy-1,7,10-trimethyl-9-oxo-9,10-dihydro-2-anthracencarbonsäure) [German] [ACD/IUPAC Name]
(10R,10'R)-10,10'-Dioxybis(3,8-dihydroxy-1,7,10-trimethyl-9-oxo-9,10-dihydro-2-anthracenecarboxylic acid) [ACD/IUPAC Name]
1616622-08-2 [RN]
2-Anthracenecarboxylic acid, 10,10'-dioxybis[9,10-dihydro-3,8-dihydroxy-1,7,10-trimethyl-9-oxo-, (10R,10'R)- [ACD/Index Name]
Acide (10R,10'R)-10,10'-dioxybis(3,8-dihydroxy-1,7,10-triméthyl-9-oxo-9,10-dihydro-2-anthracènecarboxylique) [French] [ACD/IUPAC Name]
(10R)-10,10'R-dioxybis[9,10-dihydro-3,8-dihydroxy-1,7,10-trimethyl-9-oxo-2-anthracenecarboxylic acid]
(10R)-10-{[(9R)-3-CARBOXY-2,5-DIHYDROXY-4,6,9-TRIMETHYL-10-OXO-9,10-DIHYDROANTHRACEN-9-YL]PEROXY}-3,8-DIHYDROXY-1,7,10-TRIMETHYL-9-OXO-9,10-DIHYDROANTHRACENE-2-CARBOXYLIC ACID
(10R)-10-{[(9R)-3-CARBOXY-2,5-DIHYDROXY-4,6,9-TRIMETHYL-10-OXOANTHRACEN-9-YL]PEROXY}-3,8-DIHYDROXY-1,7,10-TRIMETHYL-9-OXOANTHRACENE-2-CARBOXYLIC ACID
90614-51-0 [RN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 896.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.5±3.0 kJ/mol
Flash Point: 286.1±27.8 °C
Index of Refraction: 1.760
Molar Refractivity: 165.4±0.4 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 4
ACD/LogP: 10.20
ACD/LogD (pH 5.5): 5.55
ACD/BCF (pH 5.5): 969.95
ACD/KOC (pH 5.5): 315.27
ACD/LogD (pH 7.4): 5.24
ACD/BCF (pH 7.4): 476.80
ACD/KOC (pH 7.4): 154.98
Polar Surface Area: 208 Å2
Polarizability: 65.6±0.5 10-24cm3
Surface Tension: 102.0±5.0 dyne/cm
Molar Volume: 402.2±5.0 cm3

Click to predict properties on the Chemicalize site






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