| CAS Number | 74738-47-9 |
| Catalog Number | AG00FTCB(AGN-PC-0U5YB1) |
| Chemical Name | O-α-D-Glucopyranosyl-(1→2)-O-α-D-glucopyranosyl-(1→2)-D-glucose |
| IUPAC Name | (2R,3S,4R,5R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4,5,6-tetrahydroxyhexanal |
| InChI | InChI=1S/C18H32O16/c19-1-5(23)9(24)10(25)6(2-20)32-18-16(14(29)12(27)8(4-22)33-18)34-17-15(30)13(28)11(26)7(3-21)31-17/h2,5-19,21-30H,1,3-4H2/t5-,6+,7-,8-,9-,10-,11-,12-,13+,14+,15-,16-,17-,18+/m1/s1 |
| InChI Key | ISHBVZCRFFFZPN-QLMIMIAXSA-N |
| Molecular Formula | C18H32O16 |
| Molecular Weight | 504.4371 |
| SMILES | C(C1C(C(C(C(O1)OC2C(C(C(OC2OC(C=O)C(C(C(CO)O)O)O)CO)O)O)O)O)O)O |
| Synonyms | |
| Complexity | 625 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 14 |
| 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 | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -6.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number