| CAS Number | 3256-04-0 |
| Catalog Number | AG00C0S9(AGN-PC-0R7UQO) |
| Chemical Name | Laminaritriose |
| IUPAC Name | 3-[3,5-dihydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,4,5,6-tetrahydroxyhexanal |
| InChI | InChI=1S/C18H32O16/c19-1-5(23)9(25)15(6(24)2-20)33-18-14(30)16(11(27)8(4-22)32-18)34-17-13(29)12(28)10(26)7(3-21)31-17/h2,5-19,21-30H,1,3-4H2 |
| InChI Key | UAMQRLTXHIUDST-UHFFFAOYSA-N |
| MDL Number | MFCD01862228 |
| Molecular Formula | C18H32O16 |
| Molecular Weight | 504.4371 |
| SMILES | O([C@@H]1[C@@H](O)[C@H](O[C@@H]([C@@H]([C@@H](CO)O)O)[C@H](C=O)O)O[C@H](CO)[C@H]1O)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O |
| Synonyms | 3256-04-0,
DTXSID40516458,
FT-0652035,
A821321,
Hexopyranosyl-(1->3)hexopyranosyl-(1->3)hexose,
S07-0141,
3-[[3,5-dihydroxy-6-(hydroxymethyl)-4-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]-2,4,5,6-tetrahydroxyhexanal,
3-[6-(hydroxymethyl)-4-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,5-bis(oxidanyl)oxan-2-yl]oxy-2,4,5,6-tetrakis(oxidanyl)hexanal,
Laminaritriose,
|
| Complexity | 625 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 504.169g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 34 |
| Hydrogen Bond Acceptor Count | 16 |
| Hydrogen Bond Donor Count | 11 |
| Isotope Atom Count | 0 |
| Molecular Weight | 504.438g/mol |
| Monoisotopic Mass | 504.169g/mol |
| Rotatable Bond Count | 11 |
| Topological Polar Surface Area | 277A^2 |
| Undefined Atom Stereocenter Count | 14 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -6.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number