Basic information
- CAS
21740-23-8- Standard SMILES
O=C(OC[C@H]1O[C@H](Cl)C[C@@H]1OC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1- InChIKey
QEHCZULNFYDPPL-BBWFWOEESA-N- Molecular formula
- C19H15Cl3O5
- Average molar mass
- 429.7 g/mol
Overview
See other relationships...
Names & identifiers
- Preferred name
- alpha-D-erythro-Pentofuranosyl chloride, 2-deoxy-, 3,5-bis(4-chlorobenzoate)
- IUPAC
- [(2R,3S,5R)-5-chloro-3-(4-chlorobenzoyl)oxyoxolan-2-yl]methyl 4-chlorobenzoate
- English name
- 1-Chloro-3,5-di-(4-chlorobenzoyl)-2-deoxy-D-ribose
- Molecular formula
- C19H15Cl3O5
- Molecular weight
- 429.67
Names & synonyms
RefChem:555505alpha-D-erythro-Pentofuranosyl chloride, 2-deoxy-, 3,5-bis(4-chlorobenzoate)21740-23-8(2R,3S,5R)-5-Chloro-2-(((4-chlorobenzoyl)oxy)methyl)tetrahydrofuran-3-yl 4-chlorobenzoateMFCD110445321-Chloro-3,5-di-(4-chlorobenzoyl)-2-deoxy-D-ribose2-deoxy-3,5-di-O-(4-chlorobenzoyl)-alpha-D-ribofuranosyl chlorideSY226329[(2R,3S,5R)-5-chloro-3-(4-chlorobenzoyloxy)oxolan-2-yl]methyl 4-chlorobenzoate3,5-O-Bis(p-chlorobenzoyl)-2-deoxy-alpha-D-ribofuranosyl chlorideC19H15Cl3O5DTXSID40944353
Show more names
Chloro sugarNSC 1405945G/25G/1KGChloride sugarOxygen-2-deoxy-D-riboseTrifluridine intermediatechlorobenzoyl)-2-deoxy-D-ribose3,5-O-bis(p-chlorobenzoyl)-2-deoxy-α-D-1-Cl-3,5-bis-(4-cl-bz)- 2-deoxy-D-ribofuranose
LS-14701SY1106873,5-bis-o-(4-chlorobenzoyl)-2-deoxypentofuranosyl chlorideSCHEMBL2182176QEHCZULNFYDPPL-BBWFWOEESA-NCS-M3501AKOS015895531AS-68377
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 515
Physicochemical properties
- Melting point
- 110 · 110-118°C (dec.)
- Boiling point
- 530.6 · 530.6±50.0 °C(Predicted)
- Density
- 1.46 · 1.46±0.1 g/cm3(Predicted)
- storage temp.
- 2 · Sealed in dry,2-8°C
- solubility
- Chloroform (Slightly), Ethyl Acetate (Slightly)
- form
- Solid
- color
- White to Off-White
- Stability
- Not stable in Solution
- InChI
- InChI=1/C19H15Cl3O5/c20-13-5-1-11(2-6-13)18(23)25-10-16-15(9-17(22)26-16)27-19(24)12-3-7-14(21)8-4-12/h1-8,15-17H,9-10H2/t15-,16+,17-/s3
- InChIKey
- QEHCZULNFYDPPL-KIQRZSAINA-N
- SMILES
- C([C@H]1O[C@H](Cl)C[C@@H]1OC(C1C=CC(Cl)=CC=1)=O)OC(C1C=CC(Cl)=CC=1)=O |&1:1,3,6,r|
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- REACH Registrations
- Active
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesIntermediate used in the synthesis of nucleotide analogs.Unstable in solution!
Uses1-Chloro-3,5-di-(4-chlorobenzoyl)-2-deoxy-D-ribose is used in the synthesis of nucleotide analogs. Unstable in solution!
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
济南百隆化学有限公司[email protected] · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
Related reactions
2 records
Compound notes
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