Summary

IMPPAT Phytochemical identifier: IMPHY012053

Phytochemical name: Sucrose

Synonymous chemical names:
saccharose, sucrose, sugar

External chemical identifiers:
CID:5988, ChEMBL:CHEMBL253582, ChEBI:17992, ZINC:ZINC000004217475, FDASRS:C151H8M554, SureChEMBL:SCHEMBL1005, MolPort-003-926-939

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Chemical structure information

SMILES:
OC[C@H]1O[C@@]([C@H]([C@@H]1O)O)(CO)O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O

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

InChIKey:
CZMRCDWAGMRECN-UGDNZRGBSA-N

DeepSMILES:
OC[C@H]O[C@@][C@H][C@@H]5O))O))CO))O[C@H]O[C@H]CO))[C@H][C@@H][C@H]6O))O))O

Functional groups:
CO, C[C@](C)(OC)O[C@H](C)OC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC(OC2CCCO2)OC1

Scaffold Graph/Node level:
C1CCC(OC2CCCO2)OC1

Scaffold Graph level:
C1CCC(CC2CCCC2)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbohydrates and carbohydrate conjugates

NP Classifier Biosynthetic pathway: Carbohydrates

NP Classifier Superclass: Saccharides

NP Classifier Class: Disaccharides

NP-Likeness score: 2.143

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Chemical structure download