| CAS Number | 65207-55-8 |
| Catalog Number | AG00EDV2(AGN-PC-0TFTC3) |
| Chemical Name | 1,5-Anhydro-2-deoxy-4-O-β-D-galactopyranosyl-D-arabino-hex-1-enitol |
| IUPAC Name | (2R,3R,5R)-4-[(1R,2R,3S,4S,5R)-1,2,3,4,5,6-hexahydroxyhexoxy]-2,3,5,6-tetrahydroxyhexanal |
| InChI | InChI=1S/C12H24O12/c13-1-4(16)7(19)9(21)10(22)12(23)24-11(6(18)3-15)8(20)5(17)2-14/h2,4-13,15-23H,1,3H2/t4-,5+,6-,7+,8-,9+,10-,11?,12-/m1/s1 |
| InChI Key | PYUOYXPEAXAJQI-ZWRLUOFISA-N |
| MDL Number | MFCD22543637 |
| Molecular Formula | C12H20O9 |
| Molecular Weight | 308.2818 |
| SMILES | O([C@@H]1[C@@H](CO)OC=C[C@H]1O)[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O |
| Synonyms | D-Lactal,
65207-55-8,
(2R,3R,5R)-4-((1R,2R,3S,4S,5R)-1,2,3,4,5,6-hexahydroxyhexyloxy)-2,3,5,6-tetrahydroxyhexanal,
|
| Complexity | 355 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 8 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 360.126776g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 12 |
| Hydrogen Bond Donor Count | 10 |
| Isotope Atom Count | 0 |
| Molecular Weight | 360.31g/mol |
| Monoisotopic Mass | 360.126776g/mol |
| Rotatable Bond Count | 12 |
| Topological Polar Surface Area | 229Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -6.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number