ChemSpider 2D Image | (2E,4Z,6R,8Z,10E,14E,17S,18E,20Z)-20-(Carboxylatomethyl)-6-methoxy-2,5,17-trimethyl-2,4,8,10,14,18,20-docosaheptaenedioate | C28H35O7

(2E,4Z,6R,8Z,10E,14E,17S,18E,20Z)-20-(Carboxylatomethyl)-6-methoxy-2,5,17-trimethyl-2,4,8,10,14,18,20-docosaheptaenedioate

  • Molecular FormulaC28H35O7
  • Average mass483.575 Da
  • Monoisotopic mass483.239929 Da
  • ChemSpider ID128920110

  • 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

(2E,4Z,6R,8Z,10E,14E,17S,18E,20Z)-20-(Carboxylatomethyl)-6-methoxy-2,5,17-trimethyl-2,4,8,10,14,18,20-docosaheptaendioat [German] [ACD/IUPAC Name]
(2E,4Z,6R,8Z,10E,14E,17S,18E,20Z)-20-(Carboxylatomethyl)-6-methoxy-2,5,17-trimethyl-2,4,8,10,14,18,20-docosaheptaenedioate [ACD/IUPAC Name]
(2E,4Z,6R,8Z,10E,14E,17S,18E,20Z)-20-(Carboxylatométhyl)-6-méthoxy-2,5,17-triméthyl-2,4,8,10,14,18,20-docosaheptaènedioate [French] [ACD/IUPAC Name]
2,4,8,10,14,18,20-Docosaheptaenedioic acid, 20-(carboxymethyl)-6-methoxy-2,5,17-trimethyl-, ion(3-), (2E,4Z,6R,8Z,10E,14E,17S,18E,20Z)- [ACD/Index Name]
(2E,4Z,6R,8Z,10E,14E,17S,18E,20Z)-20-(carboxylatomethyl)-6-methoxy-2,5,17-trimethyldocosa-2,4,8,10,14,18,20-heptaenedioate
Bongkrekate
bongkrekate(3-)
bongkrekic acid trianion
bongkrekic acid(3-)
  • Miscellaneous

    • Chemical Class:

      A tricarboxylic acid anion resulting from the deprotonation of the three carboxy groups of bongkrekic acid; major species at pH 7.3. ChEBI CHEBI:178020

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

Density:
Boiling Point: 715.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 113.8±6.0 kJ/mol
Flash Point: 231.0±26.4 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 1
ACD/LogP: 5.48
ACD/LogD (pH 5.5): 2.20
ACD/BCF (pH 5.5): 5.82
ACD/KOC (pH 5.5): 19.28
ACD/LogD (pH 7.4): -0.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 130 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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