Basic information
- Standard SMILES
O.O.OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O- InChIKey
DPVHGFAJLZWDOC-PVXXTIHASA-N- Molecular formula
- C12H26O13
- Average molar mass
- 378.33 g/mol
- Monoisotopic mass
- 378.13734088
Names & identifiers
- Preferred name
- Trehalose, dihydrate
- IUPAC
- (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol;dihydrate
Names & synonyms
TREHALOSE, DIHYDRATEalpha-D-Glucopyranoside, alpha-D-glucopyranosyl, dihydrateRefChem:898940.alpha.-D-Glucopyranoside, .alpha.-D-glucopyranosyl, dihydrateD-(+)-Trehalose dihydrate6138-23-4Trehalose dihydrateD-Trehalose dihydrateMFCD00071594alpha,alpha-Trehalose dihydrateDTXSID30479727YIN7J07X4
Show more names
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol;dihydrate(2R,2'R,3S,3'S,4S,4'S,5R,5'R,6R,6'R)-6,6'-Oxybis(2-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol) dihydratea,a-Trehalosea,a-D-Trehalose dihydrateUNII-7YIN7J07X4C12H26O13Trehalose dihydrate; a-d-Glucopyranosyl a-d-glucopyranoside dihydrate (a,a-trehalose dihydrate)MYCOSE DIHYDRATE
Database identifiers
- CAS
6138-23-4- PubChem CID
- 181978
- DTXSID
DTXSID3047972- ChEMBL
CHEMBL3188936- ChEBI
CHEBI:232797- UNII
- 7YIN7J07X4
- EC Number
- 612-140-5
Properties
Computed structural properties
- Topological polar surface area
- 192 Ų
- Hydrogen bond donors
- 10
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 348
Related reactions
11 records
Linked notes
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