ChemSpider 2D Image | [Dimethyl 3,3'-(3,7,12,17-tetramethyl-8,13-divinyl-22,24-dihydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~)dipropanoatato(4-)]iron | C36H36FeN4O4

[Dimethyl 3,3'-(3,7,12,17-tetramethyl-8,13-divinyl-22,24-dihydroporphyrin-2,18-diyl-κ4N21,N22,N23,N24)dipropanoatato(4-)]iron

  • Molecular FormulaC36H36FeN4O4
  • Average mass644.540 Da
  • Monoisotopic mass644.208618 Da
  • ChemSpider ID22252501

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

More details:

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

[Dimethyl 3,3'-(3,7,12,17-tetramethyl-8,13-divinyl-22,24-dihydroporphyrin-2,18-diyl-κ4N21,N22,N23,N24)dipropanoatato(4-)]iron [ACD/IUPAC Name]
Iron, [7,12-diethenyl-22,24-dihydro-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoato(4-)-κN21,κN22,κN23,κN24, dimethyl ester]- [ACD/Index Name]
DIMETHYL PROPIONATE ESTER HEME
methyl 3-[(1R)-9,14-diethenyl-20-(3-methoxy-3-oxopropyl)-5,10,15,19-tetramethyl-2,22,23,25-tetraaza-1-ferraoctacyclo[11.9.1.11,8.13,21.02,6.016,23.018,22.011,25]pentacosa-3(24),4,6,8,10,12,14,16,18,20-decaen-4-yl]propanoate

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

Density:
Boiling Point:
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Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 10
#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: 69 Å2
Polarizability:
Surface Tension:
Molar Volume:

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