Found 1 result

Search term: CDCQNAISRYFNPX (Found by InChIKey (skeleton match))

ChemSpider 2D Image | 3,3'-(7,12-Diethyl-3,8,13,17,21-pentamethyl-2,18-porphyrindiyl)dipropanoic acid | C35H40N4O4

3,3'-(7,12-Diethyl-3,8,13,17,21-pentamethyl-2,18-porphyrindiyl)dipropanoic acid

  • Molecular FormulaC35H40N4O4
  • Average mass580.716 Da
  • Monoisotopic mass580.304932 Da
  • ChemSpider ID144061
  • Double-bond stereo - Double-bond stereo

More details:

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

21H,23H-Porphine-2,18-dipropanoic acid, 7,12-diethyl-3,8,13,17,21-pentamethyl- [ACD/Index Name]
3,3'-(7,12-Diethyl-3,8,13,17,21-pentamethyl-2,18-porphyrindiyl)dipropanoic acid [ACD/IUPAC Name]
3,3'-(7,12-Diethyl-3,8,13,17,21-pentamethyl-2,18-porphyrindiyl)dipropansäure [German] [ACD/IUPAC Name]
Acide 3,3'-(7,12-diéthyl-3,8,13,17,21-pentaméthyl-2,18-porphyrinediyl)dipropanoïque [French] [ACD/IUPAC Name]
130641-26-8 [RN]
N-Methylmesoporphyrin IX

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.642
Molar Refractivity: 166.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 8.62
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: 121 Å2
Polarizability: 65.9±0.5 10-24cm3
Surface Tension: 45.4±7.0 dyne/cm
Molar Volume: 460.3±7.0 cm3

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