Basic information
- CAS
14057-18-2- Standard SMILES
CC(=O)OCC1OC(n2ccc(=O)[nH]c2=O)C(OC(C)=O)C1OC(C)=O- InChIKey
AUFUWRKPQLGTGF-UHFFFAOYSA-N- Molecular formula
- C15H18N2O9
- Average molar mass
- 370.31 g/mol
- Monoisotopic mass
- 370.10123016
Names & identifiers
- Preferred name
- 1-(2,3,5-Tri-O-acetylpentofuranosyl)pyrimidine-2,4(1H,3H)-dione
- IUPAC
- [3,4-diacetyloxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl acetate
- English name
- Cytarabine Impurity 12
- Molecular formula
- C15H18N2O9
- Molecular weight
- 370.31
Names & synonyms
1-(2,3,5-tri-o-acetylpentofuranosyl)pyrimidine-2,4(1h,3h)-dioneRefChem:1053802DTXCID00811956DTXSID1086332014057-18-2[3,4-diacetyloxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl acetate[3,4-diacetyloxy-5-(2,4-dioxo(1,3-dihydropyrimidinyl))oxolan-2-yl]methyl aceta te2-[(acetyloxy)methyl]-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3,4-diyl diacetate(4S)-Uridine triacetateTimTec1_001151CBDivE_000346CHEMBL304540
Show more names
Cytarabine Impurity 2Cytarabine Impurity 12Spongouridine 2',3',5'-triacetate2,4(1H,3H)-Pyrimidinedione, 1-(2,3,5-tri-O-acetyl-β-D-arabinofuranosyl)-1-(2-O,3-O,5-O-Triacetyl-β-D-arabinofuranosyl)-2,4(1H,3H)-pyrimidinedione1-?(2,?3,?5-?tri-?O-?acetyl-?β-?D-?arabinofuranosyl)?-2,?4(1H,?3H)?-?Pyrimidinedione
orb1705129orb2901504SCHEMBL19308912[(2R,3R,4R,5S)-3,4-Diacetyloxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl acetate1-(2-O,3-O,5-O-Triacetyl-beta-D-arabinofuranosyl)-2,4(1H,3H)-pyrimidinedioneHMS1537E07HMS5085H08ALBB-025024
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 660
Physicochemical properties
- Melting point
- 128 · 128-130 °C
- Density
- 1.438 · 1.438±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 9.37 · 9.370±0.10(predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers14 total
济南百隆化学有限公司[email protected] · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
湖北扬信医药科技有限公司15347293736 · [email protected]
深圳摩科生化科技有限公司18627923403 · [email protected]
梯尔希（南京）药物研发有限公司18012923235 · [email protected]
杭州六可生物科技有限公司+86-571-86912261 19975279805 · [email protected]
Standardpharm Co. Ltd.86-714-3992388 · [email protected]
深圳市华信医药科技有限公司15671363360 · [email protected]
扬州长华生物科技有限公司15189846850 13815846020
湖北摩科化学有限公司18627753421; 18627756402 · [email protected]
ANHUI WITOP BIOTECH CO., LTD+8618071025641 · [email protected]
Related reactions
1 records
Compound notes
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