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Search term: CQKDGYMHYLBWTQ-UHFFFAOYSA-N (Found by InChIKey (skeleton match))
ChemSpider 2D Image | Dimethyl 3,3'-(7,12-diethyl-3,8,13,17-tetramethyl-2,18-porphyrindiyl)dipropanoate | C36H42N4O4

Dimethyl 3,3'-(7,12-diethyl-3,8,13,17-tetramethyl-2,18-porphyrindiyl)dipropanoate

  • Molecular FormulaC36H42N4O4
  • Average mass594.743 Da
  • Monoisotopic mass594.320618 Da
  • ChemSpider ID71482

  • Double-bond stereo - Double-bond stereo

More details:

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

Dimethyl-3,3'-(7,12-diethyl-3,8,13,17-tetramethyl-2,18-porphyrindiyl)dipropanoat [German] [ACD/IUPAC Name]
63626-96-0 [RN]
Mesoporphyrin dimethyl ester
Mesoporphyrin dimethyl ester (VAN)
Mesoporphyrin IX dimethyl ester
Mesoporphyrin IX dimethyl ester (VAN)
Mesoporphyrin IX dimethylester
Mesoporphyrin IX, dimethyl ester

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

AIDS159870 [DBID]
AIDS-159870 [DBID]
BAS 00337969 [DBID]
NSC 16668 [DBID]
NSC16668 [DBID]
ZINC04683165 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 1009.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 147.6±3.0 kJ/mol
Flash Point: 564.5±34.3 °C
Index of Refraction: 1.582
Molar Refractivity: 169.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 9.42
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: 110 Å2
Polarizability: 67.2±0.5 10-24cm3
Surface Tension: 48.9±3.0 dyne/cm
Molar Volume: 507.5±3.0 cm3

Click to predict properties on the Chemicalize site


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