Summary

IMPPAT Phytochemical identifier: IMPHY013325

Phytochemical name: 2,3,4,5,6-Pentahydroxyhexanal;1,3,4,5,6-pentahydroxyhexan-2-one

Synonymous chemical names:
invert sugar

External chemical identifiers:
CID:21924868, SureChEMBL:SCHEMBL20361633

---

Chemical structure information

SMILES:
OCC(C(C(C(=O)CO)O)O)O.OCC(C(C(C(C=O)O)O)O)O

InChI:
InChI=1S/2C6H12O6/c2*7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2;1,3-6,8-12H,2H2

InChIKey:
PJVXUVWGSCCGHT-UHFFFAOYSA-N

DeepSMILES:
OCCCCC=O)CO)))O))O))O.OCCCCCC=O))O))O))O))O

Functional groups:
CC(C)=O, CC=O, CO

---

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: Monosaccharides

NP-Likeness score: 1.566

---

Chemical structure download