Molecular Identity
Isosorbide
(3S,3aR,6R,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol
PubChem CID: 12597
Isosorbide is an organic molecular entity.
2D Structure
Properties
C6H10O4
Molecular Formula
146.14
Molecular Weight
g/mol
146.0579
Exact Mass
Da
-1.4
XLogP
Drug-like (Lipinski: < 5)
58.9
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
4
H-Bond Acceptors
122
Complexity
SMILES
Canonical SMILES
SMILES: C1C(C2C(O1)C(CO2)O)OIsomeric SMILES
SMILES: C1[C@H]([C@@H]2[C@H](O1)[C@H](CO2)O)OSynonyms(20)
isosorbide652-67-5IsobideDevicoran1,4:3,6-Dianhydro-D-glucitolHydronolIsmotic(3R,3aR,6S,6aR)-hexahydrofuro[3,2-b]furan-3,6-diol(+)-D-IsosorbideD-Glucitol, 1,4:3,6-dianhydro-1,4:3,6-Dianhydro-D-sorbitol1,4:3,6-DianhydrosorbitolDTXSID5046196NSC-40725Glucitol, 1,4:3,6-dianhydro-, D-
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Isosorbide
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