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179030-22-9 | 5H-Pyrano[3,2-d]thiazole-6,7-diol, 3a,6,7,7a-tetrahydro-5-(hydroxymethyl)-2-methyl-, (3aR,5R,6S,7R,7aR)-
CAS No: 179030-22-9 Catalog No: AG0026QD MDL No:MFCD22376563
Product Description
Catalog Number:
AG0026QD
Chemical Name:
5H-Pyrano[3,2-d]thiazole-6,7-diol, 3a,6,7,7a-tetrahydro-5-(hydroxymethyl)-2-methyl-, (3aR,5R,6S,7R,7aR)-
CAS Number:
179030-22-9
Molecular Formula:
C8H13NO4S
Molecular Weight:
219.2581
MDL Number:
MFCD22376563
IUPAC Name:
(5R,6S,7R)-5-(hydroxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol
InChI:
InChI=1S/C8H13NO4S/c1-3-9-5-7(12)6(11)4(2-10)13-8(5)14-3/h4-8,10-12H,2H2,1H3/t4-,5?,6-,7-,8?/m1/s1
InChI Key:
DRHXTSWSUAJOJZ-DJAUARBVSA-N
SMILES:
OC[C@H]1O[C@@H]2SC(=N[C@@H]2[C@H]([C@@H]1O)O)C
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
219.057g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
219.255g/mol
Monoisotopic Mass:
219.057g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
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