3-Hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-2-carboxylic acid
Basic information
- CAS
3544-99-8- Standard SMILES
Cc1cn(C2CC(O)C(C(=O)O)O2)c(=O)[nH]c1=O- InChIKey
TURHENGAFSXIAQ-UHFFFAOYSA-N- Molecular formula
- C10H12N2O6
- Average molar mass
- 256.21 g/mol
- Monoisotopic mass
- 256.06953611
Names & identifiers
- Preferred name
- 3-Hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-2-carboxylic acid
- IUPAC
- 3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-2-carboxylic acid
- English name
- (2S,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolane-2-ca rboxylic acid
- Molecular formula
- C10H12N2O6
- Molecular weight
- 256.21
Names & synonyms
Thymidine-5'-carboxylic acid3544-99-83-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-2-carboxylic acidDTXSID30956844NSC315824NSC-3158241-(2-Deoxypentofuranuronosyl)-4-hydroxy-5-methylpyrimidin-2(1H)-one.beta.-D-erythro-Pentofuranuronic acid,2-dideoxy-1-(3,4-dihydro-5-methyl-2,4-dioxo-1(2H)-pyrimidinyl)-D-erythro-Pentofuranuronic acid,2-dideoxy-1-(3,4-dihydro-5-methyl-2,4-dioxo-1(2H)-pyrimidinyl)-, .beta.-Thymidine 5′-(tetrahydrogen triphosphate), 3′-amino-3′-deoxy(2S,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolane-2-ca rboxylic acidβ-D-erythro-Pentofuranuronic acid, 1,2-dideoxy-1-(3,4-dihydro-5-methyl-2,4-dioxo-1(2H)-pyrimidinyl)-
Show more names
1,2-Dideoxy-1-(3,4-dihydro-5-methyl-2,4-dioxo-1(2H)-pyrimidinyl)-beta-D-erythro-pentofuranuronic acid
Database identifiers
- CAS
3544-99-8- PubChem CID
- 330079
- DTXSID
DTXSID30956844
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 446
Physicochemical properties
- Density
- 1.596 · 1.596±0.06 g/cm3(Predicted)
- pka
- 3.07 · 3.07±0.60(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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