2',3'-Dideoxy-4-thiouridine

HCID 3000256
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Basic information

CAS
122568-04-1
Standard SMILES
O=c1[nH]c(=S)ccn1[C@H]1CC[C@@H](CO)O1
InChIKey
HFUKRBLAIFTSMI-POYBYMJQSA-N
Molecular formula
C9H12N2O3S
Average molar mass
228.27 g/mol
Monoisotopic mass
228.05686324

Names & identifiers

Preferred name
2',3'-Dideoxy-4-thiouridine
IUPAC
1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-4-sulfanylidenepyrimidin-2-one
English name
2',3'-Dideoxy-4-thiouridine
Molecular formula
C9H12N2O3S
Molecular weight
228.27

Names & synonyms

ddUrdS2',3'-dideoxy-4-thiouridine4-Thio-ddU122568-04-1DTXSID50153651RefChem:80037DTXCID8076142CHEMBL89055SCHEMBL5317524HFUKRBLAIFTSMI-POYBYMJQSA-NBDBM500131191-[(2R,5S)-5-(Hydroxymethyl)oxolan-2-yl]-4-sulfanylidene-3,4-dihydropyrimidin-2(1H)-one
Show more names
Uridine, 2',3'-dideoxy-4-thio-3,4-Dihydro-1-[(5β-hydroxymethyltetrahydrofuran)-2β-yl]-4-thioxopyrimidin-2(1H)-one
1-[(2R,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-thioxo-pyrimidin-2-one1-(5-Hydroxymethyl-tetrahydro-furan-2-yl)-4-thioxo-3,4-dihydro-1H-pyrimidin-2-one (ddUrdS)

Database identifiers

CAS
122568-04-1
PubChem CID
3000256
DTXSID
DTXSID50153651
ChEMBL
CHEMBL89055
Nikkaji
J264.463K

Properties

Computed structural properties

XLogP
-0.3
Topological polar surface area
93.9 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
15

Experimental & physicochemical properties

LogP-0.21

Physicochemical properties

Melting point
121 · 121-122 °C
Density
1.47 · 1.47±0.1 g/cm3(Predicted)
pka
4.94 · 4.94±0.20(Predicted)

Chemistry & industry

Suppliers1 total

杭州六可生物科技有限公司+86-571-86912261 19975279805 · [email protected]

Related reactions

1 records
New reaction record

Compound notes

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