5-[(2R,3R,4S)-3,4-Diammoniotetrahydro-2-Thiophenyl]Pentanoate

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Properties Simple | Detailed

Formula C9H18N2O2S
IUPAC Name 5-[(2r,3r,4s)-3,4-bis(azaniumyl)tetrahydrothiophen-2-yl]pentanoate
Molecular Mass 218.316 g·mol−1
Heat of Formation -442.9 ± 16.7 kJ·mol−1
Dipole Moment 8.61 ± 1.08 D
Volume 267.57 Å 3
Surface Area 235.87 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy -0.36 ± eV
Point Group Symmetry C1
Synonyms
  • 5-[(2r,3r,4s)-3,4-diammonio-2-tetrahydrothiophenyl]pentanoate
  • 5-[(2r,3r,4s)-3,4-diammoniotetrahydrothiophen-2-yl]valerate
  • 5-[(2r,3r,4s)-3,4-diazaniumyltetrahydrothiophen-2-yl]pentanoate
  • 5-[(2r,3r,4s)-3,4-diazaniumylthiolan-2-yl]pentanoate
InChIKey JKNCSZDPWAVQAI-ZXFLCMHBSA-O
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