ChemSpider 2D Image | {3-[(2R,5'S)-9'-Ethyl-5'-hydroxy-5',10',15',19'-tetramethyl-5-oxo-14'-vinyl-4,5-dihydro-3H-spiro[furan-2,4'-[21,22,23,24]tetraazapentacyclo[16.2.1.1~3,6~.1~8,11~.1~13,16~]tetracosa[1(20),2,6,8,10,12,1 4,16,18]nonaen]-20'-yl-kappa~4~N~21'~,N~22'~,N~23'~,N~24'~]propanoato(4-)}iron | C34H34FeN4O5

{3-[(2R,5'S)-9'-Ethyl-5'-hydroxy-5',10',15',19'-tetramethyl-5-oxo-14'-vinyl-4,5-dihydro-3H-spiro[furan-2,4'-[21,22,23,24]tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa[1(20),2,6,8,10,12,1 4,16,18]nonaen]-20'-yl-κ4N21',N22',N23',N24']propanoato(4-)}iron

  • Molecular FormulaC34H34FeN4O5
  • Average mass634.503 Da
  • Monoisotopic mass634.187866 Da
  • ChemSpider ID61712277

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

{3-[(2R,5'S)-9'-Ethyl-5'-hydroxy-5',10',15',19'-tetramethyl-5-oxo-14'-vinyl-4,5-dihydro-3H-spiro[furan-2,4'-[21,22,23,24]tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa[1(20),2,6,8,10,12,1 
4,16,18]nonaen]-20'-yl-κ4N21',N22',N23',N24']propanoato(4-)}iron [ACD/IUPAC Name]
Iron, [(2R,5'S)-14'-ethenyl-9'-ethyl-4,5-dihydro-5'-hydroxy-5',10',15',19'-tetramethyl-5-oxospiro[furan-2(3H),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]
CIS-HEME D HYDROXYCHLORIN γ-SPIROLACTONE
HDD

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: 9
#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: 100 Å2
Polarizability:
Surface Tension:
Molar Volume:

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