Basic information
- CAS
17606-72-3- Standard SMILES
O=C(CO)[C@@H](O)[C@H](O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)CO- InChIKey
PFCRQPBOOFTZGQ-RGXJTGTOSA-N- Molecular formula
- C12H22O11
- Average molar mass
- 342.3 g/mol
- Monoisotopic mass
- 342.11621151
Names & identifiers
- Preferred name
- Maltulose
- IUPAC
- (3S,4R,5R)-1,3,5,6-tetrahydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-one
Names & synonyms
Maltulose17606-72-34-O-alpha-D-Glucopyranosyl-D-fructoseQ7GN4HW47SD-Fructose, 4-O-alpha-D-glucopyranosyl-UNII-Q7GN4HW47SEINECS 241-578-6D-FRUCTOSE, 4-O-.ALPHA.-D-GLUCOPYRANOSYL-FRUCTOSE, 4-O-.ALPHA.-D-GLUCOPYRANOSYL-, D-RefChem:155496FRUCTOSE, 4-O-ALPHA-D-GLUCOPYRANOSYL-, D-4-O-alpha-D-glucopyranosyl-beta-D-fructofuranose
Show more names
4-O-alpha-D-Glucopyranosyl-D-fructofuranosealpha-D-Glcp-(1->4)-beta-D-Frufalpha-D-glucopyranosyl-(1->4)-beta-D-fructofuranoseCHEBI:79286(3S,4R,5R)-1,3,5,6-Tetrahydroxy-4-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)hexan-2-oneMFCD00191667(3S,4R,5R)-1,3,5,6-tetrahydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-hexan-2-oned-fructose, 4-o-|A-d-glucopyranosyl-
Database identifiers
- CAS
17606-72-3- PubChem CID
- 87177
- DTXSID
DTXSID00938753- UNII
- Q7GN4HW47S
- EC Number
- 241-578-6
- Nikkaji
- J287.086J
Properties
Computed structural properties
- XLogP
- -4.8
- Topological polar surface area
- 197 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 378
Experimental & physicochemical properties
Collision Cross Section180.1 Ų [M+Na]+;180 Ų [M-H]-
Related reactions
2 records
Compound notes
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