ChemSpider 2D Image | beta-hydroxyorcein | C28H23NO7

β-hydroxyorcein

  • Molecular FormulaC28H23NO7
  • Average mass485.485 Da
  • Monoisotopic mass485.147461 Da
  • ChemSpider ID28475364

More details:

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

2,8-Bis(2,4-dihydroxy-6-methylphenyl)-7-hydroxy-1,9-dimethyl-3H-phenoxazin-3-on [German] [ACD/IUPAC Name]
2,8-Bis(2,4-dihydroxy-6-methylphenyl)-7-hydroxy-1,9-dimethyl-3H-phenoxazin-3-one [ACD/IUPAC Name]
2,8-Bis(2,4-dihydroxy-6-méthylphényl)-7-hydroxy-1,9-diméthyl-3H-phénoxazin-3-one [French] [ACD/IUPAC Name]
3H-Phenoxazin-3-one, 2,8-bis(2,4-dihydroxy-6-methylphenyl)-7-hydroxy-1,9-dimethyl- [ACD/Index Name]
β-hydroxyorcein
β-HYDROXYORCEIN
γ-hydroxyorcein
γ-HYDROXYORCEIN
1400-62-0 [RN]
215-750-6 [EINECS]
More...

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

B8KP2THB3I [DBID]
T5G708D3HQ [DBID]
UNII:B8KP2THB3I [DBID]
UNII:T5G708D3HQ [DBID]
UNII-B8KP2THB3I [DBID]
  • Miscellaneous

    • Chemical Class:

      A member of the class of phenoxazines that is 1,9-dimethyl-3<element>H</element>-phenoxazin-3-one carrying an additional hydroxy substituent at position 7 as well as two 2,4-dihydroxy-6-methylphenyl s ubstituents at positions 2 and 8. The isomer in which the hydroxy groups at positions 2' and 2'' on the phenyl rings are both on the same side of the plane of the phenoxazine ring system. A component of orcein, a mixture of dyes isolated from lichens. ChEBI CHEBI:90309, CHEBI:90313
      A member of the class of phenoxazines that is 1,9-dimethyl-3<element>H</element>-phenoxazin-3-one carrying an additional hydroxy substituent at position 7 as well as two 2,4-dihydroxy-6-methylphenyl s ubstituents at positions 2 and 8. The isomer in which the hydroxy groups at positions 2' and 2'' on the phenyl rings are situated on opposite sides of the plane of the phenoxazine ring system. A compo nent of orcein, a mixture of dyes isolated from lichens. ChEBI CHEBI:90309, CHEBI:90313
      A member of the class of phenoxazines that is 1,9-dimethyl-3H-phenoxazin-3-one carrying an additional hydroxy substituent at position 7 as well as two 2,4-dihydroxy-6-methylphenyl substituents at posi tions 2 and 8. The isomer in which the hydroxy groups at positions 2' and 2'' on the phenyl rings are both on the same side of the plane of the phenoxazine ring system. A component of orcein, a mixtur e of dyes isolated from lichens. ChEBI CHEBI:90309, CHEBI:90313
      A member of the class of phenoxazines that is 1,9-dimethyl-3H-phenoxazin-3-one carrying an additional hydroxy substituent at position 7 as well as two 2,4-dihydroxy-6-methylphenyl substituents at posi tions 2 and 8. The isomer in which the hydroxy groups at positions 2' and 2'' on the phenyl rings are situated on opposite sides of the plane of the phenoxazine ring system. A component of orcein, a m ixture of dyes isolated from lichens. ChEBI CHEBI:90309, CHEBI:90313

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

Density: 1.5±0.1 g/cm3
Boiling Point: 749.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.0±3.0 kJ/mol
Flash Point: 406.8±32.9 °C
Index of Refraction: 1.696
Molar Refractivity: 127.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 4.65
ACD/LogD (pH 5.5): 4.34
ACD/BCF (pH 5.5): 1176.23
ACD/KOC (pH 5.5): 5486.19
ACD/LogD (pH 7.4): 4.29
ACD/BCF (pH 7.4): 1047.21
ACD/KOC (pH 7.4): 4884.42
Polar Surface Area: 140 Å2
Polarizability: 50.6±0.5 10-24cm3
Surface Tension: 55.3±7.0 dyne/cm
Molar Volume: 331.6±7.0 cm3

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