ChemSpider 2D Image | Fagopyrin | C40H34N2O8


  • Molecular FormulaC40H34N2O8
  • Average mass670.707 Da
  • Monoisotopic mass670.231506 Da
  • ChemSpider ID4589856

More details:

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

1,3,4,6,8,13-Hexahydroxy-10,11-dimethyl-2,5-di(2-piperidinyl)phenanthro[1,10,9,8-opqra]perylen-7,14-dion [German] [ACD/IUPAC Name]
1,3,4,6,8,13-Hexahydroxy-10,11-dimethyl-2,5-di(2-piperidinyl)phenanthro[1,10,9,8-opqra]perylene-7,14-dione [ACD/IUPAC Name]
1,3,4,6,8,13-Hexahydroxy-10,11-diméthyl-2,5-di(2-pipéridinyl)phénanthro[1,10,9,8-opqra]pérylène-7,14-dione [French] [ACD/IUPAC Name]
72393-03-4 [RN]
Phenanthro(1,10,9,8-opqra)perylene-7,14-dione, 1,3,4,6,8,13-hexahydroxy-10,11-dimethyl-2,5-di-2-piperidinyl-
Phenanthro[1,10,9,8-opqra]perylene-7,14-dione, 1,3,4,6,8,13-hexahydroxy-10,11-dimethyl-2,5-di-2-piperidinyl- [ACD/Index Name]
1,3,4,6,8,13-Hexahydroxy-10,11-dimethyl-2,5-di-2-piperidinylphenanthro[1,10,9,8-opqra]perylene-7,14-dione, 9CI
3-Carbomethoxy-rifamycin S

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

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.883
Molar Refractivity: 191.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 8
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 4
ACD/LogP: 8.65
ACD/LogD (pH 5.5): 4.27
ACD/BCF (pH 5.5): 110.72
ACD/KOC (pH 5.5): 72.03
ACD/LogD (pH 7.4): 5.64
ACD/BCF (pH 7.4): 2598.53
ACD/KOC (pH 7.4): 1690.65
Polar Surface Area: 180 Å2
Polarizability: 76.0±0.5 10-24cm3
Surface Tension: 97.4±3.0 dyne/cm
Molar Volume: 417.8±3.0 cm3

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