Summary

IMPPAT Phytochemical identifier: IMPHY013811

Phytochemical name: 1,2,3-Propanetriol, diacetate

Synonymous chemical names:
1,2-diacetin

External chemical identifiers:
CID:66021, ChEBI:173246, FDASRS:9W955270ZW, SureChEMBL:SCHEMBL77521, MolPort-006-149-090

---

Chemical structure information

SMILES:
OCC(OC(=O)C)COC(=O)C

InChI:
InChI=1S/C7H12O5/c1-5(9)11-4-7(3-8)12-6(2)10/h7-8H,3-4H2,1-2H3

InChIKey:
UXDDRFCJKNROTO-UHFFFAOYSA-N

DeepSMILES:
OCCOC=O)C)))COC=O)C

Functional groups:
CO, COC(C)=O

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Glycerolipids

ClassyFire Subclass: Diradylglycerols

NP-Likeness score: 2.028

---

Chemical structure download