ChemSpider 2D Image | {3,3'-[(7R,12S)-12-(1-Hydroxyvinyl)-3,8,13,17-tetramethyl-7-vinyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron | C34H34FeN4O5

{3,3'-[(7R,12S)-12-(1-Hydroxyvinyl)-3,8,13,17-tetramethyl-7-vinyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-κ4N21,N22,N23,N24]dipropanoato(4-)}iron

  • Molecular FormulaC34H34FeN4O5
  • Average mass634.503 Da
  • Monoisotopic mass634.187866 Da
  • ChemSpider ID25057409

  • 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

{3,3'-[(7R,12S)-12-(1-Hydroxyvinyl)-3,8,13,17-tetramethyl-7-vinyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-κ4N21,N22,N23,N24]dipropanoato(4-)}eisen [German] [ACD/IUPAC Name]
{3,3'-[(7R,12S)-12-(1-Hydroxyvinyl)-3,8,13,17-tetramethyl-7-vinyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-κ4N21,N22,N23,N24]dipropanoato(4-)}iron [ACD/IUPAC Name]
{3,3'-[(7R,12S)-12-(1-Hydroxyvinyl)-3,8,13,17-tétraméthyl-7-vinyl-7,12,22,24-tétrahydroporphyrine-2,18-diyl-κ4N21,N22,N23,N24]dipropanato(4-)}fer [French] [ACD/IUPAC Name]
Iron, [(7R,12S)-7-ethenyl-7,12,22,24-tetrahydro-12-(1-hydroxyethenyl)-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoato(4-)-κN21,κN22,κN23,κN24]- [ACD/Index Name]
2-ACETYL-PROTOPORPHYRIN IX
3-[(1R,10S,15R)-20-(2-carboxyethyl)-15-ethenyl-10-(1-hydroxyethenyl)-5,9,14,19-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),4,6,8,11,13,16,18,20-nonaen-4-yl]propanoic acid

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: 3
#Freely Rotating Bonds: 9
#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: 109 Å2
Polarizability:
Surface Tension:
Molar Volume:

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