AG003SQO

655-42-5 | N-Benzoyl-D-glucosamine

AG003SQO

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CAS Number	655-42-5
Catalog Number	AG003SQO(AGN-PC-0OFBC7)
Chemical Name	N-Benzoyl-D-glucosamine
IUPAC Name	N-[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]benzamide
InChI	InChI=1S/C13H17NO6/c15-6-9(11(18)12(19)10(17)7-16)14-13(20)8-4-2-1-3-5-8/h1-6,9-12,16-19H,7H2,(H,14,20)/t9-,10+,11+,12+/m0/s1
InChI Key	QCYHKZRHOGVACA-IRCOFANPSA-N
MDL Number	MFCD00070521
Molecular Formula	C13H17NO6
Molecular Weight	283.2772
SMILES	O[C@@H]([C@@H]([C@@H](CO)O)O)[C@@H](NC(C1=CC=CC=C1)=O)C=O
Synonyms	N-benzoyl-D-glucosamine, 655-42-5, N-((2R,3R,4S,5R)-3,4,5,6-Tetrahydroxy-1-oxohexan-2-yl)benzamide, Benzoyl-D-glucosamine, 2-benzamido-2-deoxyglucose, SCHEMBL5180581, CTK8B2113, ANW-35061, KS-000017B2, TC-123806, N-Benzoyl-D-glucosamine, C13H17NO6, C13-H17-N-O6, NSC 231847,

Complexity	318
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Exact Mass	283.106g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	5
Isotope Atom Count	0
Molecular Weight	283.28g/mol
Monoisotopic Mass	283.106g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	127A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-1.8

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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