Basic information
- CAS
958-74-7- Standard SMILES
Cc1cn(C2CC(O)C(CO)O2)c(=O)n(C)c1=O- InChIKey
JCVDICFLPGDHAT-UHFFFAOYSA-N- Molecular formula
- C11H16N2O5
- Average molar mass
- 256.25 g/mol
- Monoisotopic mass
- 256.10592162
Overview
See also: Methylthymidine (annotation moved to).
Names & identifiers
- Preferred name
- 1-[4-hydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]-3,5-dimethyl-2,4(1H,3H)-pyrimidinedione
- IUPAC
- 1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dimethylpyrimidine-2,4-dione
- English name
- 3-Methylthymidine
- Molecular formula
- C11H16N2O5
- Molecular weight
- 256.26
Names & synonyms
NSC-750726CBMicro_022212Oprea1_866416JCVDICFLPGDHAT-UHFFFAOYSA-NCCG-9390NSC750726PD201991BIM-0022228.P001SR-01000210782SR-01000210782-11-[4-hydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]-3,5-dimethyl-2,4(1H,3H)-pyrimidinedionemethylthymidine
Show more names
3-MethylthymidineN3-METHYLTHYMIDINEThymidine, 3-methyl-Thymidine, 3-methyl-(9CI)N3-Methyl-5-methyl-2’-deoxyuridine, DNA adduct1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dimethylpyrimidine-2,4-dione1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dimethyl-pyrimidine-2,4-dione1-[(2R,4S,5R)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-3,5-dimethyl-pyrimidine-2,4-quinone1-((2R,4S,5R)-4-Hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-3,5-dimethylpyrimidine-2,4(1H,3H)-dione
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 90.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 408
Physicochemical properties
- Melting point
- 130 · 130-133°C
- Boiling point
- 457.7 · 457.7±55.0 °C(Predicted)
- Density
- 1.409 · 1.409±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 13.89 · 13.89±0.60(Predicted)
- color
- White to Off-White
- CAS DataBase Reference
- 958 · 958-74-7
- FDA UNII
- 6 KXY4L1JH · N6KXY4L1JH
Chemistry & industry
Applications
Uses3-Methylthymidine can be used to detect fat mass and obesity-associated protein (FTO) activity[1].
Suppliers22 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
上海遐瑞医药科技有限公司+86-021-61551413 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
攀纳燊（河南）医药科学技术有限公司0371-65325800 13700860222 · [email protected]
上海梅凯科技有限公司021-68689288 15300790979 · [email protected]
Shanghai Scibiotron Pharmaceutical Co., Ltd+86-16621589600 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
杭州六可生物科技有限公司+86-571-86912261 19975279805 · [email protected]
BOC Sciences16314854226 · [email protected]
郑州格然林科技有限公司0371-85513397 +86-18610099868 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…