| CAS Number | 35438-40-5 |
| Catalog Number | AG007CCL(AGN-PC-0RAW73) |
| Chemical Name | 4-O-(a-D-Mannopyranosyl)-D-mannose |
| IUPAC Name | (2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-[(2R,3S,4R,5S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol |
| InChI | InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8+,9+,10-,11?,12-/m1/s1 |
| InChI Key | GUBGYTABKSRVRQ-VQCGNKTKSA-N |
| MDL Number | MFCD01310888 |
| Molecular Formula | C12H22O11 |
| Molecular Weight | 342.2965 |
| SMILES | OC[C@H]1OC(O)[C@H]([C@H]([C@@H]1O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)O)O)O)O |
| Synonyms | 4-O-(a-D-Mannopyranosyl)-D-mannose,
alpha-1,4-Mannobiose,
35438-40-5,
CTK8F6233,
MFCD01310888,
AKOS030241978,
4-O-alpha-D-Mannopyranosyl-D-mannopyranose,
4-O-ALPHA-D-MANNOPYRANOSYL-D-MANNOSE,
WURCS=2.0/2,2,1/[a1122h-1x_1-5][a1122h-1a_1-5]/1-2/a4-b1,
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| Complexity | 382 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 9 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 342.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 11 |
| Hydrogen Bond Donor Count | 8 |
| Isotope Atom Count | 0 |
| Molecular Weight | 342.297g/mol |
| Monoisotopic Mass | 342.116g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 190A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -4.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number