Basic information
- CAS
169516-55-6- Standard SMILES
O=C(OC[C@H]1O[C@@H](n2ccc3c(Cl)ncnc32)[C@@H](F)[C@@H]1OC(=O)c1ccccc1)c1ccccc1- InChIKey
GNUVHXHFIIZVRP-VLVHOKLOSA-N- Molecular formula
- C25H19ClFN3O5
- Average molar mass
- 495.9 g/mol
- Monoisotopic mass
- 495.0997266
Names & identifiers
- Preferred name
- ((2R,3R,4S,5R)-3-(Benzoyloxy)-5-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-4-fluorotetrahydrofuran-2-yl)methyl benzoate
- IUPAC
- [(2R,3R,4S,5R)-3-benzoyloxy-5-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-4-fluorooxolan-2-yl]methyl benzoate
- English name
- 4-Chloro-7-(3,5-di-O-benzoyl-2-deoxy-2-fluoro-beta-D-arabinofuranosyl)-7H-pyrrolo[2.3-d]pyriMidine
- Molecular formula
- C25H19ClFN3O5
- Molecular weight
- 495.89
Names & synonyms
169516-55-64-Chloro-7-(3,5-di-O-benzoyl-2-deoxy-2-fluoro-beta-D-arabinofuranosyl)-7H-pyrrolo[2.3-d]pyriMidine((2R,3R,4S,5R)-3-(Benzoyloxy)-5-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-4-fluorotetrahydrofuran-2-yl)methyl benzoate[(2R,3R,4S,5R)-3-benzoyloxy-5-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-4-fluorooxolan-2-yl]methyl benzoateorb1908278SCHEMBL1689398TNU0718GNUVHXHFIIZVRP-VLVHOKLOSA-N[(2R,3R,4S,5R)-3-(benzoyloxy)-5-{4-chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl}-4-fluorooxolan-2-yl]methyl benzoateF12868((2R,3R,4S,5R)-3-(Benzoyloxy)-5-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-4-fluorotetrahydrofuran-2-yl)methylbenzoate4-chloro-7-(3,5-di-O-benzoyl-2-deoxy-2-fluoro-beta-D-arabinofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine
Show more names
4-Chloro-7-(3,5-di-O-benzoyl-2-deoxy-2-fluoro-β-D-arabinofuranosyl)-7H-pyrrolo[2.3-d]pyrimidine7H-Pyrrolo[2,3-d]pyrimidine, 4-chloro-7-(3,5-di-O-benzoyl-2-deoxy-2-fluoro-β-D-arabinofuranosyl)-
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 92.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 751
Physicochemical properties
- Boiling point
- 655.622 · 655.622±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.465 · 1.465±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 2.881 · 2.881±0.30(predicted)
Chemistry & industry
Suppliers10 total
上海遐瑞医药科技有限公司+86-021-61551413 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
上海梅凯科技有限公司021-68689288 15300790979 · [email protected]
郑州格然林医药科技有限公司0371-85513397 · [email protected]
杭州六可生物科技有限公司+86-571-86912261 19975279805 · [email protected]
浙江泽天精细化工有限公司18957127338 · [email protected]
郑州格然林科技有限公司0371-85513397 +86-18610099868 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
浙江天酶生物工程有限公司19967302939 · [email protected]
Related reactions
0 records
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Compound notes
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