ChemSpider 2D Image | (2E,4Z,6R,8Z,10E,14E,17S,18E,20Z)-20-[(~13~C)Carboxy(~13~C)methyl]-2,5,17-tris[(~13~C)methyl]-6-[(~13~C)methyloxy](~13~C_22_)-2,4,8,10,14,18,20-docosaheptaenedioic acid | 13C28H38O7

(2E,4Z,6R,8Z,10E,14E,17S,18E,20Z)-20-[(13C)Carboxy(13C)methyl]-2,5,17-tris[(13C)methyl]-6-[(13C)methyloxy](13C22)-2,4,8,10,14,18,20-docosaheptaenedioic acid

  • Molecular Formula13C28H38O7
  • Average mass514.391 Da
  • Monoisotopic mass514.355713 Da
  • ChemSpider ID128938083

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(2E,4Z,6R,8Z,10E,14E,17S,18E,20Z)-20-[(13C)Carboxy(13C)methyl]-2,5,17-tris[(13C)methyl]-6-[(13C)methyloxy](13C22)-2,4,8,10,14,18,20-docosaheptaendisäure [German] [ACD/IUPAC Name]
(2E,4Z,6R,8Z,10E,14E,17S,18E,20Z)-20-[(13C)Carboxy(13C)methyl]-2,5,17-tris[(13C)methyl]-6-[(13C)methyloxy](13C22)-2,4,8,10,14,18,20-docosaheptaenedioic acid [ACD/IUPAC Name]
2,4,8,10,14,18,20-Docosaheptaenedioic-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22-13C22 acid, 20-(carboxy-13C-methyl-13C)-2,5,17-tri(methyl-13C)-6-(methyl-13C-oxy)-, (2E,4Z,6R
 ,8Z,10E,14E,17S,18E,20Z)- [ACD/Index Name]
Acide (2E,4Z,6R,8Z,10E,14E,17S,18E,20Z)-20-[(13C)carboxy(13C)méthyl]-2,5,17-tris[(13C)méthyl]-6-[(13C)méthyloxy](13C22)-2,4,8,10,14,18,20-docosaheptaènedioïque [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.545
Molar Refractivity: 138.1±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: 54.7±0.5 10-24cm3
Surface Tension: 44.2±3.0 dyne/cm
Molar Volume: 436.4±3.0 cm3

Click to predict properties on the Chemicalize site


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