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2',3'-Dideoxyuridine-5'-O-monothiophosphate

HCID 178786346
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Basic information

CAS
1266500-91-7
Standard SMILES
O=c1ccn([C@H]2CC[C@@H](COP(O)(O)=S)O2)c(=O)[nH]1
InChIKey
LENMXODJHHVTIA-POYBYMJQSA-N
Molecular formula
C9H13N2O6PS
Average molar mass
308.25 g/mol
Monoisotopic mass
308.02319431

Names & identifiers

Preferred name
2',3'-Dideoxyuridine-5'-O-monothiophosphate
IUPAC
1-[(2R,5S)-5-(dihydroxyphosphinothioyloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
English name
2',3'-Dideoxyuridine-5'-O-monothiophosphate
Molecular formula
C9H13N2O6PS
Molecular weight
308.248081

Names & synonyms

2',3'-Dideoxyuridine-5'-O-monothiophosphate1266500-91-7SCHEMBL6913590ND103941-{[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl}-2,3-dihydro-1H-indole

Database identifiers

CAS
1266500-91-7
PubChem CID
88061768

Properties

Computed structural propertiesFilling in

XLogP
-0.3
Topological polar surface area
140 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
7
Rotatable bonds
4
Heavy atoms
19
Formal charge
0
Complexity
464

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