5-HydroxyMethyl-2',3'-O-isopropylidene-2-thiouridine
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Basic information
- CAS
58479-71-3- Standard SMILES
CC1(C)O[C@@H]2[C@H](O1)[C@@H](CO)O[C@H]2n1cc(CO)c(=O)[nH]c1=S- InChIKey
BETDENPMPLSMTA-TURQNECASA-N- Molecular formula
- C13H18N2O6S
- Average molar mass
- 330.36 g/mol
Names & identifiers
- Preferred name
- 5-HydroxyMethyl-2',3'-O-isopropylidene-2-thiouridine
- IUPAC
- 1-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-(hydroxymethyl)-2-sulfanylidenepyrimidin-4-one
- English name
- 5-HydroxyMethyl-2',3'-O-isopropylidene-2-thiouridine
- Molecular formula
- C13H18N2O6S
- Molecular weight
- 330.36
Names & synonyms
58479-71-35-HydroxyMethyl-2',3'-O-isopropylidene-2-thiouridine5-(hydroxymethyl)-1-((3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-oneMFCD255424621-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-(hydroxymethyl)-2-sulfanylidenepyrimidin-4-one1-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-tetrahydro-2H-furo[3,4-d][1,3]dioxol-4-yl]-5-(hydroxymethyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-oneorb1908297SCHEMBL118802795-Hydroxymethyl-2',3'-di-O-isopropylidene-2-thiouridineTNU0699DA-60452FH144663
Show more names
5-Hydroxymethyl-2’,3’-O-isopropylidene-2-thiouridine5-Hydroxymethyl-2’,3’-di-O-isopropylidene-2-thiouridine5-(Hydroxymethyl)-2',3'-O-(1-methylethylidene)-2-thiouridineUridine, 5-(hydroxymethyl)-2',3'-O-(1-methylethylidene)-2-thio-
F12871F5130145-(hydroxymethyl)-2',3'-O-(1-methylethylidene)-2-thio-uridine1-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-(hydroxymethyl)-2-thioxo-pyrimidin-4-one
Database identifiers
- CAS
58479-71-3- Nikkaji
- J2.208.610C
Properties
Computed structural propertiesFilling in
- XLogP
- -1
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 537
Physicochemical properties
- Density
- 1.55 · 1.55±0.1 g/cm3(Predicted)
- pka
- 6.98 · 6.98±0.23(Predicted)
Chemistry & industry
Applications
Uses5-Hydroxymethyl-2',3'-O-isopropylidene-2-thiouridine is a purine nucleoside analog. Purine nucleoside analogs have broad antitumor activity targeting indolent lymphoid malignancies. Anticancer mechanisms in this process rely on inhibition of DNA synthesis, induction of apoptosis, etc[1].
Related reactions
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Compound notes
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