2-(Hydroxymethyl)-6-((3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy)oxane-3,4,5-triol
PubChem CID: 1143
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| Compound Synonyms | 1174299-27-4, 2-(hydroxymethyl)-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-3,4,5-triol, .alpha.-D-Glucopyranoside, .alpha.-D-glucopyranosyl, 2-(hydroxymethyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol, NSC2093, a,b-Trehalose, alpha-D-Glucopyranoside, alpha-D-glucopyranosyl, .alpha.-Trehalose, .alpha.-D-Trehalose, Hexopyranosyl hexopyranoside, Trehalose, alpha,alpha'-, .alpha.,.alpha.-Trehalose, 2-(Hydroxymethyl)-6-((3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy)oxane-3,4,5-triol, 2-(hydroxymethyl)-6-(3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyoxane-3,4,5-triol, D(+)-Trehalose anhydrous, SCHEMBL137621, DTXSID40859175, HDTRYLNUVZCQOY-UHFFFAOYSA-N, BCP07695, ZWB29927, SB19117, , A-D-Glucopyranosyl-, A-D-glucopyranoside, SY009512, DB-053233, EN300-19821, Z104475610, 87F82840-8E16-44B0-BF95-F1CBF910BF92, 2-(Hydroxymethyl)-6-([3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]oxy)tetrahydro-2h-pyran-3,4,5-triol, 963-334-4 |
|---|---|
| Topological Polar Surface Area | 190.0 |
| Hydrogen Bond Donor Count | 8.0 |
| Heavy Atom Count | 23.0 |
| Description | Constituent of honey. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 348.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Enzyme Uniprot Id | O43280 |
| Iupac Name | 2-(hydroxymethyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol |
| Prediction Hob | 0.0 |
| Class | Carbohydrates and carbohydrate conjugates |
| Xlogp | -4.2 |
| Superclass | Organooxygen compounds |
| Subclass | Glycosyl compounds |
| Molecular Formula | C12H22O11 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HDTRYLNUVZCQOY-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Rotatable Bond Count | 4.0 |
| State | Liquid |
| Synonyms | a-D-Glucopyranosyl b-D-glucopyranoside, b-D-Glucopyranosyl a-D-glucopyranoside, 9CI, 8CI, Neotrehalose, (Glc)2, &alpha, -d-glucopyranoside, &alpha, -d-glucopyranosyl, &alpha, -d-glucopyranosyl-&alpha, -d-glucopyranoside, &alpha, -d-trehalose, &alpha, -trehalose, &alpha, ,&alpha, -trehalose, &alpha, ,&alpha, '-trehalose, a-D-Glcp-(11)-a-D-glcp, a-D-Glucopyranosyl-a-D-glucopyranoside, a-D-Glucopyranosyl-a-D-glucopyranoside, 9CI, 8CI, a-D-Trehalose, a-Trehalose, a,a-Trehalose, a,Alpha'-trehalose, alpha-D-Glcp-(11)-alpha-D-glcp, Alpha-d-glucopyranosyl beta-d-glucopyranoside, alpha-D-Glucopyranosyl-alpha-D-glucopyranoside, alpha-D-Trehalose, alpha-Trehalose, Alpha,alpha-trehalose, Alpha,alpha'-trehalose, Alpha,beta-trehalose, D-(+)-trehalose, D-trehalose-anhydrous, Delta-trehalose-anhydrous, Ergot sugar, Hexopyranosyl hexopyranoside, Mushroom sugar, Mycose, Natural trehalose, Trehalose, Trehalose, dihydrate, α-D-glcp-(11)-α-D-glcp, α-D-glucopyranosyl-α-D-glucopyranoside, α-D-trehalose, α-trehalose, α,alpha'-trehalose, α,α-trehalose |
| Substituent Name | O-glycosyl compound, Disaccharide, Oxane, Secondary alcohol, Polyol, 1,2-diol, Oxacycle, Organoheterocyclic compound, Ether, Acetal, Hydrocarbon derivative, Primary alcohol, Alcohol, Aliphatic heteromonocyclic compound |
| Compound Name | 2-(Hydroxymethyl)-6-((3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy)oxane-3,4,5-triol |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 342.116 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 342.116 |
| Hydrogen Bond Acceptor Count | 11.0 |
| Molecular Weight | 342.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 10.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.9351586000000001 |
| Inchi | InChI=1S/C12H22O11/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2 |
| Smiles | C(C1C(C(C(C(O1)OC2C(C(C(C(O2)CO)O)O)O)O)O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Momordica Charantia (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Pogostemon Cablin (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Solanum Lycopersicum (Plant) Rel Props:Source_db:fooddb_chem_all