ChemSpider 2D Image | N-{[(2S)-7-Carboxy-3-(2-carboxyethyl)-12-ethyl-2,8,13,18-tetramethyl-17-vinyl-2,3-dihydro-5-porphyrinyl]acetyl}-L-(~13~C_4_,~15~N)aspartic acid | C3413C4H41N415NO9

N-{[(2S)-7-Carboxy-3-(2-carboxyethyl)-12-ethyl-2,8,13,18-tetramethyl-17-vinyl-2,3-dihydro-5-porphyrinyl]acetyl}-L-(13C4,15N)aspartic acid

  • Molecular FormulaC3413C4H41N415NO9
  • Average mass716.724 Da
  • Monoisotopic mass716.300903 Da
  • ChemSpider ID107443237

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 3 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

Acide N-{2-[(2S)-7-carboxy-3-(2-carboxyéthyl)-12-éthyl-2,8,13,18-tétraméthyl-17-vinyl-2,3-dihydro-5-porphyrineyl]acétyl}-L-(13C4,15N)aspartique [French] [ACD/IUPAC Name]
L-Aspartic-13C4-15N acid, N-[2-[(8S)-3-carboxy-7-(2-carboxyethyl)-13-ethenyl-18-ethyl-7,8-dihydro-2,8,12,17-tetramethyl-21H,23H-porphin-5-yl]acetyl]- [ACD/Index Name]
N-{[(2S)-7-Carboxy-3-(2-carboxyethyl)-12-ethyl-2,8,13,18-tetramethyl-17-vinyl-2,3-dihydro-5-porphyrinyl]acetyl}-L-(13C4,15N)asparaginsäure [German] [ACD/IUPAC Name]
N-{[(2S)-7-Carboxy-3-(2-carboxyethyl)-12-ethyl-2,8,13,18-tetramethyl-17-vinyl-2,3-dihydro-5-porphyrinyl]acetyl}-L-(13C4,15N)aspartic acid [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.635
Molar Refractivity: 187.5±0.3 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#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:
Polarizability: 74.3±0.5 10-24cm3
Surface Tension: 66.3±3.0 dyne/cm
Molar Volume: 523.6±3.0 cm3

Click to predict properties on the Chemicalize site


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