| Identification | Back Directory | [Name]
HYDROXYECTOINE | [CAS]
165542-15-4 | [Synonyms]
HYDROXYECTOINE
HYDROXYECTOIN*
Hydroxyectoine >=95% (HPLC)
(S)-5-Hydroxy-2-methyl-3,4,5,6-tetrahydro-pyrimidin-4-carbonsure
(4S,5S)-5-HYDROXY-2-METHYL-1,4,5,6-TETRAHYDROPYRIMIDINE-4-CARBOXYLIC ACID
(5S,6S)-5-hydroxy-2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid
4-Pyrimidinecarboxylic acid, 1,4,5,6-tetrahydro-5-hydroxy-2-methyl-, (4S,5S)-
4-Pyrimidinecarboxylicacid,1,4,5,6-tetrahydro-5-hydroxy-2-methyl-,(4S,5S)-(9CI)
THP(A), (4S,5S)-5-Hydroxy-2-methyl-1,4,5,6-tetrahydropyrimidine-4-carboxylic acid | [Molecular Formula]
C6H10N2O3 | [MDL Number]
MFCD01863080 | [MOL File]
165542-15-4.mol | [Molecular Weight]
158.16 |
| Chemical Properties | Back Directory | [Boiling point ]
465.2±45.0 °C(Predicted) | [density ]
1.56±0.1 g/cm3(Predicted) | [form ]
solid | [pka]
2.83±0.40(Predicted) | [color ]
Off-white to light yellow | [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]
KIIBBJKLKFTNQO-WHFBIAKZSA-N | [SMILES]
C1(C)NC[C@H](O)[C@@H](C(O)=O)N=1 |
| Hazard Information | Back Directory | [Uses]
food and beverages | [Definition]
ChEBI: 5-hydroxyectoine is a carboxamidine heterocycle which is obtained by formal condensation of 4-amino-L-allothreonine with acetic acid. It is a carboxamidine, a secondary alcohol, a member of 1,4,5,6-tetrahydropyrimidines and a monocarboxylic acid. It is a conjugate acid of a 5-hydroxyectoinate. It is a tautomer of a 5-hydroxyectoine zwitterion. |
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