Found 10 results

Search term: MF = 'C_{42}H_{46}N_{4}O_{16}'
ChemSpider 2D Image | (2S,3S,17S,18S)-3,8,12,18-Tetrakis(2-carboxyethyl)-2,7,13,17-tetrakis(carboxymethyl)-2,17-dimethyl-3,10,17,18-tetrahydro-2H-porphin-23-ium-22-ide | C42H46N4O16

(2S,3S,17S,18S)-3,8,12,18-Tetrakis(2-carboxyethyl)-2,7,13,17-tetrakis(carboxymethyl)-2,17-dimethyl-3,10,17,18-tetrahydro-2H-porphin-23-ium-22-ide

  • Molecular FormulaC42H46N4O16
  • Average mass862.832 Da
  • Monoisotopic mass862.290894 Da
  • ChemSpider ID59695430

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S,3S,17S,18S)-3,8,12,18-Tetrakis(2-carboxyethyl)-2,7,13,17-tetrakis(carboxymethyl)-2,17-dimethyl-3,10,17,18-tetrahydro-2H-porphin-23-ium-22-id [German] [ACD/IUPAC Name]
(2S,3S,17S,18S)-3,8,12,18-Tetrakis(2-carboxyethyl)-2,7,13,17-tetrakis(carboxymethyl)-2,17-dimethyl-3,10,17,18-tetrahydro-2H-porphin-23-ium-22-ide [ACD/IUPAC Name]
(2S,3S,17S,18S)-3,8,12,18-Tétrakis(2-carboxyéthyl)-2,7,13,17-tétrakis(carboxyméthyl)-2,17-diméthyl-3,10,17,18-tétrahydro-2H-porphin-23-ium-22-ide [French] [ACD/IUPAC Name]
2H,3H-Porphine-2,7,13,17-tetrapropanoic acid, 3,8,12,18-tetrakis(carboxymethyl)-7,8,15,24-tetrahydro-3,8-dimethyl-, (2S,3S,7S,8S)- [ACD/Index Name]
Precorrin 2
precorrin-2

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

Density:
Boiling Point: 1205.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 187.4±3.0 kJ/mol
Flash Point: 682.9±34.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 20
#H bond donors: 9
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 3
ACD/LogP: -0.43
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: 337 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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