| CAS Number | 20429-79-2 |
| Catalog Number | AG00BDTD(AGN-PC-09SIJA) |
| Chemical Name | Sophorose |
| IUPAC Name | (3R,4S,5S,6R)-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,4,5-triol |
| InChI | InChI=1S/C12H22O11/c13-1-3-6(16)8(18)10(11(20)21-3)23-12-9(19)7(17)5(15)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9-,10-,11?,12+/m1/s1 |
| InChI Key | HIWPGCMGAMJNRG-RTPHMHGBSA-N |
| MDL Number | MFCD00042795 |
| Molecular Formula | C12H22O11 |
| Molecular Weight | 342.2965 |
| SMILES | C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](OC2O)CO)O)O)O)O)O)O |
| Synonyms | 2-O-beta-D-Glucopyranosyl-D-glucopyranose,
20429-79-2,
beta-D-glucopyranosyl-(1->2)-D-glucopyranose,
SCHEMBL9114345,
beta-D-Glc-(1->2)-D-Glc,
DTXSID80885135,
AS-56128,
D-Glucopyranose, 2-O-.beta.-D-glucopyranosyl-,
WURCS=2.0/2,2,1/[a2122h-1x_1-5][a2122h-1b_1-5]/1-2/a2-b1,
Sophorose,
CHEBI:1230,
2-O-beta-D-Glucopyranosyl-D-glucose,
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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 | 342.116212g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 11 |
| Hydrogen Bond Donor Count | 8 |
| Isotope Atom Count | 0 |
| Molecular Weight | 342.3g/mol |
| Monoisotopic Mass | 342.116212g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 190Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -4.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number