ChemSpider 2D Image | (5S,6R,7E,9E,11Z,14Z)-6-{[2-(~15~N)Amino-2-(~13~C)carboxy(~13~C_2_,~2~H_3_)ethyl]sulfanyl}-5-hydroxy-7,9,11,14-icosatetraenoic acid | C2013C3H34D315NO5S

(5S,6R,7E,9E,11Z,14Z)-6-{[2-(15N)Amino-2-(13C)carboxy(13C2,2H3)ethyl]sulfanyl}-5-hydroxy-7,9,11,14-icosatetraenoic acid

  • Molecular FormulaC2013C3H34D315NO5S
  • Average mass446.598 Da
  • Monoisotopic mass446.265167 Da
  • ChemSpider ID107447777

  • 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

(5S,6R,7E,9E,11Z,14Z)-6-{[2-(15N)Amino-2-(13C)carboxy(13C2,2H3)ethyl]sulfanyl}-5-hydroxy-7,9,11,14-icosatetraenoic acid [ACD/IUPAC Name]
(5S,6R,7E,9E,11Z,14Z)-6-{[2-(15N)Amino-2-(13C)carboxy(13C2,2H3)ethyl]sulfanyl}-5-hydroxy-7,9,11,14-icosatetraensäure [German] [ACD/IUPAC Name]
7,9,11,14-Eicosatetraenoic acid, 6-[[2-(amino-15N)-2-(carboxy-13C)ethyl-1,2-13C2-1,1,2-d3]thio]-5-hydroxy-, (5S,6R,7E,9E,11Z,14Z)- [ACD/Index Name]
Acide (5S,6R,7E,9E,11Z,14Z)-6-{[2-(15N)amino-2-(13C)carboxy(13C2,2H3)éthyl]sulfanyl}-5-hydroxy-7,9,11,14-icosatétraénoïque [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: 1.557
Molar Refractivity: 124.9±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: 49.5±0.5 10-24cm3
Surface Tension: 49.2±3.0 dyne/cm
Molar Volume: 388.2±3.0 cm3

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