Sucrose

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Systematic / IUPAC Name: β-D-Fructofuranosyl α-D-glucopyranoside

ID: Reference1469

Other Names: (2R,3R,4S,5S,6R)-2-{[(2S,3S,4S,5R)-3,4-Dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol;
Saccharose;
Sugar;
Amerfand;
Amerfond ; more

Formula: C12H22O11

Class: Endogenous Metabolites

Spectral Data

Sucrose mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Elite
No. of Spectral Trees 1
No. of Spectra 108
Tandem Spectra MS1, MS2, MS3
Ionization Methods ESI
Analyzers FT
Last Modification 12/3/2014 11:08:25 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1
InChI Key CZMRCDWAGMRECN-UGDNZRGBSA-N
Canonical SMILES C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)CO)O)O)O)O
CAS 57501
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Other Names (2R,3R,4S,5S,6R)-2-{[(2S,3S,4S,5R)-3,4-Dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol;
Saccharose;
Sugar;
Amerfand;
Amerfond;
β-D-Fructofuranosyl-α-D-glucopyranoside;
D-(+)-Saccharose;
1-α-D-Glucopyranosyl-2-β-D-fructofuranoside;
Sucralox

In Other Databases

ChEBI CHEBI:17992
ChemSpider 5768
KEGG C00089; D00025
ChEMBL CHEMBL253582
Wikipedia Sucrose; Sugar
ChemIDPlus 000057501; 025702743
PubChem 5988
HMDb HMDB00258