Dianhydrogalactitol
(1S,2R)-1-[(2S)-oxiran-2-yl]-2-[(2R)-oxiran-2-yl]ethane-1,2-diol
Molecular Identity
Dianhydrogalactitol
(1S,2R)-1-[(2S)-oxiran-2-yl]-2-[(2R)-oxiran-2-yl]ethane-1,2-diol
PubChem CID: 15942827
2D Structure
Properties
C6H10O4
Molecular Formula
146.14
Molecular Weight
g/mol
146.0579
Exact Mass
Da
-1.3
XLogP
Drug-like (Lipinski: < 5)
65.5
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
4
H-Bond Acceptors
122
Complexity
SMILES
Canonical SMILES
SMILES: C1C(O1)C(C(C2CO2)O)OIsomeric SMILES
SMILES: C1[C@@H](O1)[C@@H]([C@@H]([C@@H]2CO2)O)OSynonyms(20)
Dianhydrogalactitol23261-20-3VAL-083Dulcitol diepoxideDulcitoldiepoxideGalactitol, 1,2:5,6-dianhydro-Dianhidrogalactitol1,2:5,6-dianhdrogalactitolNSC-1323134S465RYF7M1,2:5,6-DiepoxydulcitolNSC 1323131,2:5,6-DianhydrodulcitolDiepoxygalactitoldianhydrogalactitolum
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Dianhydrogalactitol
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