(28E,30S)-30-Hydroxy-28-Dotriacontene-2,9,14,19,21,31-Hexaynoic Acid

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Properties Simple | Detailed

Formula C32H38O3
IUPAC Name (e,30s)-30-hydroxydotriacont-28-en-2,9,14,19,21,31-hexaynoic acid
Molecular Mass 470.642 g·mol−1
Heat of Formation 495.8 ± 16.7 kJ·mol−1
Dipole Moment 4.10 ± 1.08 D
Volume 647.31 Å 3
Surface Area 445.88 Å 2
HOMO Energy -9.50 ± 0.55 eV
LUMO Energy 0.05 ± eV
Point Group Symmetry C1
Synonyms
  • (28e)-30-hydroxydotriacont-28-ene-2,9,14,19,21,31-hexaynoic acid
  • (e,30s)-30-hydroxydotriacont-28-en-2,9,14,19,21,31-hexaynoic acid
  • 28-dotriacontene-2,9,14,19,21,31-hexaynoic acid, 30-hydroxy-, (28e,30s)-
  • 30-hydroxy-dotriacont-28-ene-2,9,14,19,21,31-hexaynoic acid
  • callyspongynic acid
InChIKey DDVIOADGWIMPIO-ISGQOPDGSA-N
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