Molecules/(3AR,5R,6S,7R,7AR)-5-(Hydroxymethyl)-2-propyl-5,6,7,7A-tetrahydro-3AH-pyrano[3,2-D][1,3]thiazole-6,7-diol
(3AR,5R,6S,7R,7AR)-5-(Hydroxymethyl)-2-propyl-5,6,7,7A-tetrahydro-3AH-pyrano[3,2-D][1,3]thiazole-6,7-diol
(3aR,5R,6S,7R,7aR)-5-(hydroxymethyl)-2-propyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol
Molecular Identity
(3AR,5R,6S,7R,7AR)-5-(Hydroxymethyl)-2-propyl-5,6,7,7A-tetrahydro-3AH-pyrano[3,2-D][1,3]thiazole-6,7-diol
(3aR,5R,6S,7R,7aR)-5-(hydroxymethyl)-2-propyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol
PubChem CID: 11507040
2D Structure
Properties
C10H17NO4S
Molecular Formula
247.31
Molecular Weight
g/mol
247.0878
Exact Mass
Da
-0.3
XLogP
Drug-like (Lipinski: < 5)
108
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
6
H-Bond Acceptors
286
Complexity
SMILES
Canonical SMILES
SMILES: CCCC1=NC2C(C(C(OC2S1)CO)O)OIsomeric SMILES
SMILES: CCCC1=N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2S1)CO)O)OSynonyms(18)
(3ar,5r,6s,7r,7ar)-5-(Hydroxymethyl)-2-Propyl-5,6,7,7a-Tetrahydro-3ah-Pyrano[3,2-D][1,3]thiazole-6,7-Diol(3aR,5R,6S,7R,7aR)-5-(hydroxymethyl)-2-propyl-3aH,5H,6H,7H,7aH-pyrano[3,2-d][1,3]thiazole-6,7-diol(3aR,5R,6S,7R,7aR)-5-(hydroxymethyl)-2-propyl-3aH,5H,6H,7H,7aH-pyrano(3,2-d)(1,3)thiazole-6,7-diol(3AR,5R,6S,7R,7AR)-5-(HYDROXYMETHYL)-2-PROPYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO(3,2-D)(1,3)THIAZOLE-6,7-DIOLRefChem:400576CHEMBL12136041,2-Dideoxy-2'-butyl-alpha-D-glucopyranoso-[2,1-d]-DELTA2'-thiazoline2j4gSCHEMBL1898839QWOPEBCGKASVQP-QXOHVQIXSA-NBDBM50323696DB08255PD004599NS00071415Q27097478
Data from PubChem (NCBI)
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Molecular Structure
(3AR,5R,6S,7R,7AR)-5-(Hydroxymethyl)-2-propyl-5,6,7,7A-tetrahydro-3AH-pyrano[3,2-D][1,3]thiazole-6,7-diol
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Drug Network
Trials and conditions connected to (3AR,5R,6S,7R,7AR)-5-(Hydroxymethyl)-2-propyl-5,6,7,7A-tetrahydro-3AH-pyrano[3,2-D][1,3]thiazole-6,7-diol
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