Hydroxyectoin

CAS Registry Number®

165542-15-4
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CAS Name

Hydroxyectoin

Molecular Formula

C6H10N2O3

Molecular Mass

158.16

Cite this Page

Hydroxyectoin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=165542-15-4 (retrieved 2024-04-25) (CAS RN: 165542-15-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C6H10N2O3/c1-3-7-2-4(9)5(8-3)6(10)11/h4-5,9H,2H2,1H3,(H,7,8)(H,10,11)/t4-,5-/m0/s1

InChIKey

InChIKey=KIIBBJKLKFTNQO-WHFBIAKZSA-N

SMILES

C(O)(=O)[C@@H]1[C@@H](O)CN=C(C)N1

Canonical SMILES

O=C(O)C1NC(=NCC1O)C

Other Names for this Substance

  • 4-Pyrimidinecarboxylic acid, 1,4,5,6-tetrahydro-5-hydroxy-2-methyl-, (4S,5S)-
  • 4-Pyrimidinecarboxylic acid, 1,4,5,6-tetrahydro-5-hydroxy-2-methyl-, [S-(R*,R*)]-
  • (4S,5S)-1,4,5,6-Tetrahydro-5-hydroxy-2-methyl-4-pyrimidinecarboxylic acid
  • (S,S)-β-Hydroxyectoine
  • β-Hydroxyectoine

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Deleted or Replaced CAS Registry Numbers

162763-50-0

CAS INSIGHTSTM
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