ChemSpider 2D Image | Uroporphyrinogen I | C40H44N4O16

Uroporphyrinogen I

  • Molecular FormulaC40H44N4O16
  • Average mass836.795 Da
  • Monoisotopic mass836.275208 Da
  • ChemSpider ID389644

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

21H,23H-Porphine-2,7,12,17-tetrapropanoic acid, 3,8,13,18-tetrakis(carboxymethyl)-5,10,15,20,22,24-hexahydro- [ACD/Index Name]
3,3',3'',3'''-[3,8,13,18-Tetrakis(carboxymethyl)-5,10,15,20,22,24-hexahydroporphyrin-2,7,12,17-tetrayl]tetrapropanoic acid [ACD/IUPAC Name]
3,3',3'',3'''-[3,8,13,18-Tetrakis(carboxymethyl)-5,10,15,20,22,24-hexahydroporphyrin-2,7,12,17-tetrayl]tetrapropansäure [German] [ACD/IUPAC Name]
3,3',3'',3'''-[5,10,15,20-Tetrakis(carboxymethyl)-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),3,5,8,10,13,15,18-octaen-4,9,14,19-tetrayl]tetrapropansäure [German]
3,3',3'',3'''-[5,10,15,20-Tetrakis(carboxymethyl)-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),3,5,8,10,13,15,18-octaene-4,9,14,19-tetrayl]tetrapropanoic acid
Acide 3,3',3'',3'''-[3,8,13,18-tétrakis(carboxyméthyl)-5,10,15,20,22,24-hexahydroporphyrine-2,7,12,17-tétrayl]tetrapropanoïque [French] [ACD/IUPAC Name]
Acide 3,3',3'',3'''-[5,10,15,20-tétrakis(carboxyméthyl)-21,22,23,24-tétraazapentacyclo[16.2.1.13,6.18,11.113,16]tétracosa-1(20),3,5,8,10,13,15,18-octaène-4,9,14,19-tétrayl]tétrapropanoïque [French]
Uroporphyrinogen I [Wiki]
21H,23H-Porphine-2,7,12,17-tetrapropanoic acid,3,8,13,18-tetrakis(carboxymethyl)-5,10,15,20,22,24-hexahydro
3,8,13,18-tetrakis(carboxymethyl)-5,10,15,20,22,24-hexahydro-(8CI)-2,7,12,17-Porphinetetrapropionate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

C05766 [DBID]
CHEBI:28766 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 1163.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 180.1±3.0 kJ/mol
Flash Point: 657.5±32.9 °C
Index of Refraction: 1.686
Molar Refractivity: 202.0±0.3 cm3
#H bond acceptors: 20
#H bond donors: 12
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 3
ACD/LogP: -1.71
ACD/LogD (pH 5.5): -7.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 362 Å2
Polarizability: 80.1±0.5 10-24cm3
Surface Tension: 90.6±3.0 dyne/cm
Molar Volume: 531.0±3.0 cm3

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