ChemSpider 2D Image | [(1R)-20'-(2-Carboxyethyl)-5',10',15',19'-tetramethyl-9',14'-divinyl-21',22',23',24'-tetraazaspiro[cyclopropane-1,4'-pentacyclo[16.2.1.1~3,6~.1~8,11~.1~13,16~]tetracosane]-1'(20'),2',6',8',10',12',14' ,16',18'-nonaene-2-carboxylato(4-)-kappa~4~N~21'~,N~22'~,N~23'~,N~24'~]iron | C34H32FeN4O4

[(1R)-20'-(2-Carboxyethyl)-5',10',15',19'-tetramethyl-9',14'-divinyl-21',22',23',24'-tetraazaspiro[cyclopropane-1,4'-pentacyclo[16.2.1.13,6.18,11.113,16]tetracosane]-1'(20'),2',6',8',10',12',14' ,16',18'-nonaene-2-carboxylato(4-)-κ4N21',N22',N23',N24']iron

  • Molecular FormulaC34H32FeN4O4
  • Average mass616.487 Da
  • Monoisotopic mass616.177307 Da
  • ChemSpider ID61712662

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 3 defined stereocentres

More details:

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

[(1R)-20'-(2-Carboxyethyl)-5',10',15',19'-tetramethyl-9',14'-divinyl-21',22',23',24'-tetraazaspiro[cyclopropane-1,4'-pentacyclo[16.2.1.13,6.18,11.113,16]tetracosane]-1'(20'),2',6',8',10',12',14' ,16',18'-nonaene-2-carboxylato(4-)-κ4N21',N22',N23',N24']iron [ACD/IUPAC Name]
[(1R,2R,5'R)-20'-(2-Carboxyethyl)-5',10',15',19'-tetramethyl-9',14'-divinyl-21',22',23',24'-tetraazaspiro[cyclopropane-1,4'-pentacyclo[16.2.1.13,6.18,11.113,16]tetracosane]-1'(20'),2',6',8',10',
 12',14',16',18'-nonaene-2-carboxylato(4-)-κ4N21',N22',N23',N24']iron [ACD/IUPAC Name]
Iron, [(1R)-2-carboxy-9',14'-diethenyl-5',10',15',19'-tetramethylspiro[cyclopropane-1,4'-[21,22,23,24]tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa[2,6,8,10,12,14,16,18,20]nonaene]-20'-p 
ropanoato(4-)-κN21',κN22',κN23',κN24']- [ACD/Index Name]
Iron, [(1R,2R,5'R)-2-carboxy-9',14'-diethenyl-5',10',15',19'-tetramethylspiro[cyclopropane-1,4'-[21,22,23,24]tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa[2,6,8,10,12,14,16,18,20]nonaene ]-20'-propanoato(4-)-κN21',κN22',κN23',κN24']- [ACD/Index Name]
Hem
protoporphyrin ix containing fe

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 6
#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: 91 Å2
Polarizability:
Surface Tension:
Molar Volume:

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