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5-((8-Hydroxy-9H-purin-6-yl)thio)pentanoic acid

HCID 4154232
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Basic information

CAS
6067-57-8
Standard SMILES
O=C(O)CCCCSc1ncnc2[nH]c(=O)[nH]c12
InChIKey
AOTNURUEMMPART-UHFFFAOYSA-N
Molecular formula
C10H12N4O3S
Average molar mass
268.29 g/mol

Names & identifiers

Preferred name
5-((8-Hydroxy-9H-purin-6-yl)thio)pentanoic acid
English name
5-((8-Hydroxy-9H-purin-6-yl)thio)pentanoic acid
Molecular formula
C10H12N4O3S
Molecular weight
268.29

Names & synonyms

5-((8-Hydroxy-9H-purin-6-yl)thio)pentanoic acidPentanoic acid, 5-[(8,9-dihydro-8-oxo-7H-purin-6-yl)thio]-

Database identifiers

CAS
6067-57-8
PubChem CID
4154232
ChEMBL
CHEMBL4452842
EC Number
104-937-7

Properties

Physicochemical properties

Melting point
242 · 242-243 °C
Density
1.658 · 1.658±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
pka
4.704 · 4.704±0.10(predicted)

Chemistry & industry

Suppliers2 total

西格玛奥德里奇(上海)贸易有限公司21-20338288 · [email protected]
SIGMA ALDRICH IRELAND LTD[email protected]

Related reactions

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Compound notes

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