Basic information
- CAS
69321-95-5- Standard SMILES
O=c1[nH]c(=O)n(C2OC(CO)C(O)C2O)cc1O- InChIKey
QXDXBKZJFLRLCM-MNCSTQPFSA-N- Molecular formula
- C9H12N2O7
- Average molar mass
- 260.2 g/mol
- Monoisotopic mass
- 260.06445073
Names & identifiers
- Preferred name
- 1-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-hydroxypyrimidine-2,4-dione
- IUPAC
- 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-hydroxypyrimidine-2,4-dione
- English name
- 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-hydroxy-pyrimidine-2,4-dione
- Molecular formula
- C9H12N2O7
- Molecular weight
- 260.2
Names & synonyms
69321-95-5OHUrd1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-hydroxypyrimidine-2,4-dioneUridine, 5-hydroxy-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-hydroxy-1,2,3,4-tetrahydropyrimidine-2,4-dioneCytarabine Impurity 28C9H12N2O7SCHEMBL18513006QXDXBKZJFLRLCM-UHFFFAOYSA-N1-((2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-5-hydroxypyrimidine-2,4(1H,3H)-dioneNSC117925AKOS005596111
Show more names
Cytarabine 19Cytarabine Impurity 175-Hydroxy-arabinouridine2,4(1H,3H)-Pyrimidinedione, 1-β-D-arabinofuranosyl-5-hydroxy-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-hydroxy-pyrimidine-2,4-dione
NSC-117925ST082427DB-057606SR-01000091487SR-01000091487-11-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-hydroxy-pyrimidine-2,4-dione3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5,6-dihydroxy-3-hydropyrimidin- 2-one
Properties
Computed structural properties
- XLogP
- -2.1
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 410
Physicochemical properties
- Density
- 1.848 · 1.848±0.06 g/cm3(Predicted)
- pka
- 8 · 8+-.0.20(Predicted)
Chemistry & industry
Applications
Uses5-Hydroxy-arabinouridine 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].
Suppliers17 total
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Related reactions
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Compound notes
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