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Home > Pyridines > 1383691-31-3
1383691-31-3 | 3H-Thiazolo[3,4-a]pyridine-6,7,8-triol, 3-(butylimino)hexahydro-, (3E,6S,7R,8S,8aS)-
CAS No: 1383691-31-3 Catalog No: AG0018MZ MDL No:
Product Description
Catalog Number:
AG0018MZ
Chemical Name:
3H-Thiazolo[3,4-a]pyridine-6,7,8-triol, 3-(butylimino)hexahydro-, (3E,6S,7R,8S,8aS)-
CAS Number:
1383691-31-3
Molecular Formula:
C11H20N2O3S
Molecular Weight:
260.3531
IUPAC Name:
(8aS)-3-butylimino-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridine-6,7,8-triol
InChI:
InChI=1S/C11H20N2O3S/c1-2-3-4-12-11-13-5-8(14)10(16)9(15)7(13)6-17-11/h7-10,14-16H,2-6H2,1H3/t7-,8?,9?,10?/m1/s1
InChI Key:
JBCYQOOELVARNJ-QVNBGCGHSA-N
SMILES:
CCCC/N=C\1/SC[C@H]2N1C[C@H](O)[C@H]([C@H]2O)O
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
260.119g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
260.352g/mol
Monoisotopic Mass:
260.119g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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