Trehalose, dihydrate

HCID 181978CAS 6138-23-4

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

Related reactions

11 records

Linked notes

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