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Chemical structure of 2,6-Dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid hydrate

GC62766

2,6-Dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid hydrate

Also known as 2,4-dioxo-1H-pyrimidine-6-carboxylic acid;hydrate

2,6-Dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid hydrate is an endogenous metabolite

ChemicalCAS50887-69-9MW174.11FormulaC5H6N2O5
CAS number
50887-69-9
Molecular weight
174.11
Formula
C5H6N2O5
Solubility
DMSO ： 100 mg/mL (574·35 mM; Need ultrasonic)
InChIKey
YXUZGLGRBBHYFZ-UHFFFAOYSA-N
Catalogue number
GC62766
Brand
GLPBIO
Computed properties PubChem CID 16218504 · TPSA 96.5 Ų · H-bond donors 4 · H-bond acceptors 5
TPSA
96.5 Ų
H-bond donors
4
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
12

SMILES C1=C(NC(=O)NC1=O)C(=O)O.O

Computed descriptors from PubChem (CID 16218504), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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