Muramic Acid

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CAS Number

1114-41-6

Synonyms

(2R) -2-[ (2R,3R,4R,5R) -2-amino-4,5,6-trihydroxy-1-oxohexan-3-yl]oxypropanoic acid

Molecular Formula

C9H17NO7

Molecular Weight

251.23

API Name

Muramic Acid

Chemical Information

Muramic acid

2-amino-3-O-[(R)-1-carboxyethyl]-2-deoxy-D-glucopyranose is the pyranose form of muramic acid. It is functionally related to a 2-amino-2-deoxy-D-glucopyranose.

CAS Number	1114-41-6
PubChem CID	441038
IUPAC Name	(2R)-2-[(3R,4R,5S,6R)-3-amino-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoic acid
Molecular Formula	C9H17NO7
Molecular Weight	251.23
XLogP	-4.6
Topological Polar Surface Area	142
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Heavy Atom Count	17
Formal Charge	0
Complexity	274

SMILES

C[C@H](C(=O)O)O[C@H]1[C@@H]([C@H](OC([C@@H]1N)O)CO)O

InChI

InChI=1S/C9H17NO7/c1-3(8(13)14)16-7-5(10)9(15)17-4(2-11)6(7)12/h3-7,9,11-12,15H,2,10H2,1H3,(H,13,14)/t3-,4-,5-,6-,7-,9?/m1/s1

InChIKey

MSFSPUZXLOGKHJ-PGYHGBPZSA-N

Chemical Structure

2D Structure

CAS: 1114-41-6

CID: 441038

Formula: C9H17NO7

MW: 251.23

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	251.23
XLogP3	-4.6
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Exact Mass	251.10050188
Monoisotopic Mass	251.10050188
Topological Polar Surface Area	142 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	274
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Catalog	Name
MBS5798899	Muramic acid
4011440.0100	Ac-muramic acid
TRC-M800002-25MG	Muramic Acid-15N
BUP18023-01	Muramic acid HCl
MM01899-01	Muramic acid hydrate
MA181741-01	1,6-Anhydro-N-acetyl-β-muramic acid
4006354.1	Ac-α-benzyl-4,6-O-benzylidene-muramic acid

Muramic Acid

Chemical Information

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