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[(~13~C,~18~O_2_)carboxymethyl]-8,13-dimethyl-7,8,12,13,20,24-hexahydroporphyrin-2,7,12,18-tetrayl}tetra(1-~13~C)propan(~18~O_2_)oic acid | C3413C8H48N418O16

3,3',3'',3'''-{(7S,8S,12S,13S)-3,8,13,17-Tetrakis[(13C,18O2)carboxymethyl]-8,13-dimethyl-7,8,12,13,20,24-hexahydroporphyrin-2,7,12,18-tetrayl}tetra(1-13C)propan(18O2)oic acid

  • Molecular FormulaC3413C8H48N418O16
  • Average mass904.785 Da
  • Monoisotopic mass904.401306 Da
  • ChemSpider ID8548982

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

21H,22H-Porphine-2,8,13,18-tetrapropanoic-carboxy,carboxy,carboxy,carboxy-13C4-2,2,13,13,18,18-18O8 acid, 3,7,12,17-tetrakis(carboxy-13C-18O2-methyl)-7,8,12,13,20,24-hexahydro-7,12-dimet hyl-, (7S,8S,12S,13S)- [ACD/Index Name]
3,3',3'',3'''-{(7S,8S,12S,13S)-3,8,13,17-Tetrakis[(13C,18O2)carboxymethyl]-8,13-dimethyl-7,8,12,13,20,24-hexahydroporphyrin-2,7,12,18-tetrayl}tetra(1-13C)propan(18O2)oic acid [ACD/IUPAC Name]
3,3',3'',3'''-{(7S,8S,12S,13S)-3,8,13,17-Tetrakis[(13C,18O2)carboxymethyl]-8,13-dimethyl-7,8,12,13,20,24-hexahydroporphyrin-2,7,12,18-tetrayl}tetra(1-13C)propan(18O2)säure [German] [ACD/IUPAC Name]
Acide 3,3',3'',3'''-{(7S,8S,12S,13S)-3,8,13,17-tétrakis[(13C,18O2)carboxyméthyl]-8,13-diméthyl-7,8,12,13,20,24-hexahydroporphyrine-2,7,12,18-tétrayl}tetra(1-13C)propan(18O2)oïque [French] [ACD/IUPAC Name]

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: 1.692
Molar Refractivity: 209.9±0.5 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
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


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