ChemSpider 2D Image | 5,12-Dihydroxanthommatin | C20H15N3O8

5,12-Dihydroxanthommatin

  • Molecular FormulaC20H15N3O8
  • Average mass425.348 Da
  • Monoisotopic mass425.085907 Da
  • ChemSpider ID26330543

More details:

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

11-(3-Amino-3-carboxypropanoyl)-1-hydroxy-5-oxo-6,12-dihydro-5H-pyrido[3,2-a]phenoxazin-3-carbonsäure [German] [ACD/IUPAC Name]
11-(3-Amino-3-carboxypropanoyl)-1-hydroxy-5-oxo-6,12-dihydro-5H-pyrido[3,2-a]phenoxazine-3-carboxylic acid [ACD/IUPAC Name]
5,12-Dihydroxanthommatin
5H-Pyrido[3,2-a]phenoxazine-11-butanoic acid, α-amino-3-carboxy-6,12-dihydro-1-hydroxy-γ,5-dioxo- [ACD/Index Name]
Acide 11-(3-amino-3-carboxypropanoyl)-1-hydroxy-5-oxo-6,12-dihydro-5H-pyrido[3,2-a]phénoxazine-3-carboxylique [French] [ACD/IUPAC Name]
25705-16-2 [RN]

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

142394-84-1; 25705-16-2; 571-75-5 [DBID]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 960.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 146.5±3.0 kJ/mol
Flash Point: 534.7±34.3 °C
Index of Refraction: 1.773
Molar Refractivity: 100.3±0.4 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 1.48
ACD/LogD (pH 5.5): -1.94
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.66
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 189 Å2
Polarizability: 39.8±0.5 10-24cm3
Surface Tension: 118.3±5.0 dyne/cm
Molar Volume: 240.7±5.0 cm3

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