| CAS Number | 41744-59-6 |
| Catalog Number | AG00CYY9 |
| Chemical Name | O-α-D-Galactopyranosyl-(1→3)-O-β-D-galactopyranosyl-(1→4)-D-glucose |
| IUPAC Name | (2R,3R,4R,5R)-4-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,3,5,6-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/h1,5-18,20-30H,2-4H2/t5-,6+,7+,8+,9+,10-,11-,12-,13+,14+,15+,16-,17+,18-/m0/s1 |
| InChI Key | KZZUYHVLNLDKLB-KXWZGOPVSA-N |
| MDL Number | MFCD06798950 |
| Molecular Formula | C18H32O16 |
| Molecular Weight | 504.4371 |
| SMILES | OCC1OC(OC2C(CO)OC(C(C2O)O)O)C(C(C1O)OC1OC(CO)C(C(C1O)O)O)O |
| Synonyms | Galalpha1-3Galbeta1-4Glc,
SCHEMBL17867221,
DTXSID20881191,
41744-59-6,
Isoglobotriaose,
|
| Complexity | 625 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 14 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 504.169035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 34 |
| Hydrogen Bond Acceptor Count | 16 |
| Hydrogen Bond Donor Count | 11 |
| Isotope Atom Count | 0 |
| Molecular Weight | 504.4g/mol |
| Monoisotopic Mass | 504.169035g/mol |
| Rotatable Bond Count | 11 |
| Topological Polar Surface Area | 277Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -6.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number