Basic information
- CAS
3544-99-8- Standard SMILES
Cc1cn([C@H]2C[C@H](O)[C@@H](C(=O)O)O2)c(=O)[nH]c1=O- InChIKey
TURHENGAFSXIAQ-XVMARJQXSA-N- Molecular formula
- C10H12N2O6
- Average molar mass
- 256.21 g/mol
- Monoisotopic mass
- 256.06953611
Names & identifiers
- Preferred name
- Thymidine-5'-carboxylic acid
- IUPAC
- (2S,3S,5R)-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 acid3544-99-8CHEMBL1288589(2S,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-2-carboxylic acidNSC 3158245'-Carboxy Thymidine5''-Carboxy thymidineSCHEMBL2056517TURHENGAFSXIAQ-XVMARJQXSA-NBDBM50331792(2S,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolane-2-carboxylic acidThymidine-5 inverted exclamation marka-carboxylic acid
Show more names
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)-1,2-Dideoxy-1-(3,4-dihydro-5-methyl-2,4-dioxo-1(2H)-pyrimidinyl)-beta-D-erythro-pentofuranuronic acid
beta-D-erythro-Pentofuranuronic acid, 1,2-dideoxy-1-(3,4-dihydro-5-methyl-2,4-dioxo-1(2H)-pyrimidinyl)-
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)
Chemistry & industry
Suppliers8 total
宁波亿诺化学品有限公司86-574-27787657 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
上海梅凯科技有限公司021-68689288 15300790979 · [email protected]
陕西缔都医药化工有限公司+86-029-81138252 +86-173 9270 1263 · [email protected]
杭州六可生物科技有限公司+86-571-86912261 19975279805 · [email protected]
BOC Sciences16314854226 · [email protected]
诺圣华控股集团有限公司+86-023-62871537 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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