AG0026QD

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)-

AG0026QD

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CAS Number	179030-22-9
Catalog Number	AG0026QD(AGN-PC-0QBGS7)
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)-
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
MDL Number	MFCD22376563
Molecular Formula	C8H13NO4S
Molecular Weight	219.2581
SMILES	O[C@H]1[C@H](O)[C@@]2([H])N=C(C)S[C@@]2([H])O[C@@H]1CO
Synonyms	(5R,6S,7R)-5-(Hydroxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d]thiazole-6,7-diol, 179030-22-9, C8H13NO4S, SCHEMBL12676373, (3aR,5R,6S,7R,7aR)-5-(Hydroxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d]thiazole-6,7-diol, 9389AA, AKOS016012220, AX8246734, (5R,6S,7R)-5-(hydroxymethyl)-2-methyl-3a,6,7,7a-tetrahydro-5H-pyrano[3,2-d]thiazole-6,7-diol, 3a,6,7,7a-Tetrahydro-5-(hydroxymethyl)-2-methyl-(3aR,5R,6S,7R,7aR)-5H-pyrano[3,2-d]thiazole-6,7-diol, NAG-thiazoline, UNII-ML5FHL557A, N-Acetyl-glucosamine thiazoline, CID10398518, 5H-Pyrano(3,2-d)thiazole-6,7-diol, 3a,6,7,7a-tetrahydro-5-(hydroxymethyl)-2-methyl-, (3aR,5R,6S,7R,7aR)-, NGT,

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

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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