AG00IGU1

91674-26-9 | D-Glucose, 2-amino-2-deoxy-, 6-(hydrogen sulfate)

AG00IGU1

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CAS Number	91674-26-9
Catalog Number	AG00IGU1(AGN-PC-0VUGDA)
Chemical Name	D-Glucose, 2-amino-2-deoxy-, 6-(hydrogen sulfate)
IUPAC Name	[(2R,3S,4R,5R)-5-amino-2,3,4-trihydroxy-6-oxohexyl] hydrogen sulfate
InChI	InChI=1S/C6H13NO8S/c7-3(1-8)5(10)6(11)4(9)2-15-16(12,13)14/h1,3-6,9-11H,2,7H2,(H,12,13,14)/t3-,4+,5+,6+/m0/s1
InChI Key	KRCSEEITTBNSQS-SLPGGIOYSA-N
MDL Number	MFCD00214293
Molecular Formula	C6H13NO8S
Molecular Weight	259.2343
SMILES	N[C@H]([C@H]([C@@H]([C@@H](COS(=O)(O)=O)O)O)O)C=O
Synonyms	glucosamine 6-O-sulfate, D-Glucosamine 6-sulfate, 91674-26-9, GlcN-6S, D-Glucosamine-6-O-sulphate, (2R,3S,4R,5R)-5-amino-2,3,4-trihydroxy-6-oxohexyl hydrogen sulfate, SCHEMBL19295, C6H13NO8S, CHEMBL229397, CTK0I2726, KS-00000XXF, MFCD00063417, AKOS015856670, ZINC100051514, API0007062, RTR-012705, TR-012705, V1506, Glucosamine sulfate, D-Glucosamine-6-sulfate, GLUCOSAMINESULFATE, Glucosamine 6-O-sulfate, C046905, D-Glucose, 2-amino-2-deoxy-, 6-(hydrogen sulfate), 14999-43-0, 29031-19-4,

Complexity	311
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Exact Mass	259.036g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	5
Isotope Atom Count	0
Molecular Weight	259.229g/mol
Monoisotopic Mass	259.036g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	176A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-6.4

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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