D-Digitoxose
(4S,5S,6R)-6-methyloxane-2,4,5-triol
Molecular Identity
D-Digitoxose
(4S,5S,6R)-6-methyloxane-2,4,5-triol
PubChem CID: 2723626
2D Structure
Properties
C6H12O4
Molecular Formula
148.16
Molecular Weight
g/mol
148.0736
Exact Mass
Da
-1.1
XLogP
Drug-like (Lipinski: < 5)
69.9
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
4
H-Bond Acceptors
116
Complexity
SMILES
Canonical SMILES
SMILES: CC1C(C(CC(O1)O)O)OIsomeric SMILES
SMILES: C[C@@H]1[C@H]([C@H](CC(O1)O)O)OSynonyms(20)
2,6-Dideoxy-D-Ribo-HexopyranoseD-Dig2,6-Dideoxy-Ribose2,6-Dideoxy-D-Ribose2,6-Dideoxy-Ribopyranose2,6-Dideoxy-Ribopyranoside2,6-Dideoxy-D-Ribopyranose2,6-Dideoxy-D-Ribopyranoside2,6-Dideoxy-Ribo-HexopyranoseSNFG:DigDig (SNFG)RefChem:53252GlyTouCan:G92438NI2,6-dideoxyribohexopyranose2,6-dideoxy-D- ribo-hexose
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to D-Digitoxose
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