| CAS Number | 125598-74-5 |
| Catalog Number | AG009BK1(AGN-PC-0WBL7U) |
| Chemical Name | 2,3,5-TRI-O-BENZYL-L-ARABINOFURANOSE |
| IUPAC Name | [(2R,3R,4R,5R)-5-chloro-3,4-bis[(4-chlorobenzoyl)oxy]oxolan-2-yl]methyl 4-chlorobenzoate |
| InChI | InChI=1S/C26H18Cl4O7/c27-17-7-1-14(2-8-17)24(31)34-13-20-21(36-25(32)15-3-9-18(28)10-4-15)22(23(30)35-20)37-26(33)16-5-11-19(29)12-6-16/h1-12,20-23H,13H2/t20-,21-,22-,23+/m1/s1 |
| InChI Key | XVLSIQHWHHLLPV-ODAXIHTASA-N |
| MDL Number | MFCD04039483 |
| Molecular Formula | C26H18Cl4O7 |
| Molecular Weight | 584.2289 |
| SMILES | Cl[C@H]1O[C@H](COC(=O)c2ccc(Cl)cc2)[C@@H](OC(=O)c3ccc(Cl)cc3)[C@H]1OC(=O)c4ccc(Cl)cc4 |
| Synonyms | 125598-74-5,
W-200990,
2,3,5-Tri-O-p-chlorobenzoyl-a-D-ribofuranosyl chloride,
ZINC100052965,
FT-0664990,
CHLORO 2,3,5-TRI-O-P-CHLOROBENZOYL-BETA-D-RIBOFURANOSIDE,
XVLSIQHWHHLLPV-ODAXIHTASA-N,
CID10438277,
alpha-D-Ribofuranosyl chloride tris(4-chlorobenzoate),
[5-chloro-4-(4-chlorobenzoyl)oxy-2-[(4-chlorobenzoyl)oxymethyl]oxolan-3-yl] 4-chlorobenzoate,
|
| Complexity | 790 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 4 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 583.978g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 37 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 584.223g/mol |
| Monoisotopic Mass | 581.981g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 88.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 7.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number