Basic information
- CAS
6979-97-1- Standard SMILES
CC(=O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1OC(C)=O- InChIKey
RGVBNBFNSBMXID-UHFFFAOYSA-N- Molecular formula
- C14H18N2O7
- Average molar mass
- 326.3 g/mol
- Monoisotopic mass
- 326.11140092
Names & identifiers
- Preferred name
- Thymidine, 3',5'-diacetate
- IUPAC
- [3-acetyloxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl acetate
- English name
- 3',5'-DIACETYLTHYMIDINE
- Molecular formula
- C14H18N2O7
- Molecular weight
- 326.3
Names & synonyms
Thymidine, 3',5'-diacetate[3-acetyloxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl acetateThymidine,5'-diacetateNSC67672SCHEMBL32668971DTXSID70990040RGVBNBFNSBMXID-UHFFFAOYSA-NThymidine, 3',5'-bis-O-acetylNSC-67672NSC526766NSC-526766NS00003850
Show more names
DIACETYL THYMIDINEThymidine Impurity 23',5'-DIACETYLTHYMIDINE3’,5’-di-O-acetylthymidine3',5'-DI-O-ACETYL-THYMIDINE3'-O,5'-O-Diacetylthymidine3',5'-DIACETYLTHYMIDINE, 99+%1'(2'-DEOXY-3',5'-DI-O-ACETYL-BETA-D-RIBOFURANOSYL)THYMINE1-(3-O,5-O-Diacetyl-2-deoxy-β-D-ribofuranosyl)-5-methyl-1,2,3,4-tetr
1-(3,5-Di-O-acetyl-2-deoxypentofuranosyl)-4-hydroxy-5-methylpyrimidin-2(1H)-one
Database identifiers
- CAS
6979-97-1- PubChem CID
- 98007
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 571
Physicochemical properties
- Melting point
- 126 · 126-128 °C(lit.)
- Boiling point
- 463.51 °C · 463.51°C (rough estimate)
- Density
- 1.2368 · 1.2368 (rough estimate)
- refractive index
- 1.508 · 1.5080 (estimate)
- storage temp.
- 0 · 0-6°C
- pka
- 9.55 · 9.55±0.10(Predicted)
- CAS DataBase Reference
- 6979 · 6979-97-1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses3’,5’-Di-O-acetylthymidine 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].
Upstream & downstream products
Upstream raw materials
Suppliers17 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
上海梅凯科技有限公司021-68689288 15300790979 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
杭州六可生物科技有限公司+86-571-86912261 19975279805 · [email protected]
BOC Sciences16314854226 · [email protected]
河南誉康卓宁进出口有限公司13393721940 · [email protected]
上海烁点生物科技有限公司18221553137 · [email protected]
上海煜柯化学品有限公司13391486464 · [email protected]
杭州洁汉化工有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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