Found 4 results

Search term: CSWLXNNNLVVXKD-ORDMNHKBSA-N (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 3,3',3'',3'''-[(7S,8S,12S,13S)-3,8,13,17-Tetrakis(carboxymethyl)-8,13-dimethyl-7,8,12,13,20,24-hexahydroporphyrin-2,7,12,18-tetrayl]tetrapropanoic acid | C42H48N4O16

3,3',3'',3'''-[(7S,8S,12S,13S)-3,8,13,17-Tetrakis(carboxymethyl)-8,13-dimethyl-7,8,12,13,20,24-hexahydroporphyrin-2,7,12,18-tetrayl]tetrapropanoic acid

  • Molecular FormulaC42H48N4O16
  • Average mass864.848 Da
  • Monoisotopic mass864.306519 Da
  • ChemSpider ID4444150

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

21H,22H-Porphine-2,8,13,18-tetrapropanoic acid, 3,7,12,17-tetrakis(carboxymethyl)-7,8,12,13,20,24-hexahydro-7,12-dimethyl-, (7S,8S,12S,13S)- [ACD/Index Name]
3,3',3'',3'''-[(7S,8S,12S,13S)-3,8,13,17-Tetrakis(carboxymethyl)-8,13-dimethyl-7,8,12,13,20,24-hexahydroporphyrin-2,7,12,18-tetrayl]tetrapropanoic acid [ACD/IUPAC Name]
3,3',3'',3'''-[(7S,8S,12S,13S)-3,8,13,17-Tetrakis(carboxymethyl)-8,13-dimethyl-7,8,12,13,20,24-hexahydroporphyrin-2,7,12,18-tetrayl]tetrapropansäure [German] [ACD/IUPAC Name]
Acide 3,3',3'',3'''-[(7S,8S,12S,13S)-3,8,13,17-tétrakis(carboxyméthyl)-8,13-diméthyl-7,8,12,13,20,24-hexahydroporphyrine-2,7,12,18-tétrayl]tetrapropanoïque [French] [ACD/IUPAC Name]
82542-92-5 [RN]
Precorrin 2
precorrin-2

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

C02463 [DBID]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 1243.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 194.1±3.0 kJ/mol
Flash Point: 705.9±34.3 °C
Index of Refraction: 1.692
Molar Refractivity: 209.9±0.5 cm3
#H bond acceptors: 20
#H bond donors: 11
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 3
ACD/LogP: -0.62
ACD/LogD (pH 5.5): -7.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 354 Å2
Polarizability: 83.2±0.5 10-24cm3
Surface Tension: 70.3±7.0 dyne/cm
Molar Volume: 547.8±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement