3-C-Carboxy-4-Decyl-2,4-Dideoxy-D-Erythro-Pentaric Acid

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Properties Simple | Detailed

Formula C16H28O7
IUPAC Name (2s,3s)-2-hydroxytridecane-1,2,3-tricarboxylic acid
Molecular Mass 332.389 g·mol−1
Heat of Formation -1571.4 ± 16.7 kJ·mol−1
Dipole Moment 4.79 ± 1.08 D
Volume 417.4 Å 3
Surface Area 380.51 Å 2
HOMO Energy -11.04 ± 0.55 eV
LUMO Energy 3.12 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s)-2-hydroxytridecane-1,2,3-tricarboxylate
  • (2s,3s)-2-hydroxytridecane-1,2,3-tricarboxylic acid
  • decylcitric acid
CAS Number(s)
  • 19763-41-8
InChIKey DQIHPEKINXOMBM-WBMJQRKESA-N
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Elements H C O