Valienamine

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Properties Simple | Detailed

Formula C7H13NO4
IUPAC Name (1s,2s,3r,6s)-6-amino-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol
Molecular Mass 175.182 g·mol−1
Heat of Formation -716.0 ± 16.7 kJ·mol−1
Dipole Moment 4.62 ± 1.08 D
Volume 201.14 Å 3
Surface Area 189.56 Å 2
HOMO Energy -9.63 ± 0.55 eV
LUMO Energy 3.19 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,2r,3s,6r)-6-amino-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol
  • (1s,2s,3r,6s)-6-amino-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol
  • (1s,2s,3r,6s)-6-amino-4-methylol-cyclohex-4-ene-1,2,3-triol
  • 4-cyclohexene-1,2,3-triol, 6-amino-4-(hydroxymethyl)-, (1s-(1alpha,2beta,3alpha,6alpha))-
  • 6-amino-4-hydroxymethyl-cyclohex-4-ene-1,2,3-triol
  • aci
  • cmn
  • cyl
CAS Number(s)
  • 38231-86-6
InChIKey XPHOBMULWMGEBA-VZFHVOOUSA-N
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