Muramic acid

C9H17NO7CAS 1114-41-6251.23 g/mol

Open in Covalent MOL file
OOHOHOHNH2OOHO
AlcoholAldehydeCarboxylic acidEtherPrimary amine

Properties

Molecular formula
C9H17NO7
Molar mass
251.23 g/mol
Exact mass
251.1005 Da
Melting point
153 °C (decomposes)
logP
-2.92Crippen estimate
Polar surface area
150.3 Ų
H-bond donors / acceptors
5 / 7
Rotatable bonds
8
Stereocentres
R, R, R, R, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
1114-41-6
SMILES
C[C@@H](O[C@@H]([C@H](O)[C@H](O)CO)[C@@H](N)C=O)C(=O)O
InChIKey
ZZHZYDXMAKUKNS-OZRXBMAMSA-N
InChI
InChI=1S/C9H17NO7/c1-4(9(15)16)17-8(5(10)2-11)7(14)6(13)3-12/h2,4-8,12-14H,3,10H2,1H3,(H,15,16)/t4-,5+,6-,7-,8-/m1/s1

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Names and synonyms

5 names
  • D-Glucose, 2-amino-3-O-(D-1-carboxyethyl)-2-deoxy-
  • 2-Amino-3-O-(D-1-carboxyethyl)-2-deoxy-D-glucose
  • D-Glucose, 2-amino-3-O-(1-carboxyethyl)-2-deoxy-, (R)-
  • (R)-2-Amino-3-O-(1-carboxyethyl)-2-deoxy-D-glucose
  • 2-Aminomuramic acid

Work with Muramic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

N-Acetylmuramic acid10597-89-463 % similar Glucosamine3416-24-857 % similar Galactosamine hydrochloride1772-03-853 % similar D-Mannosamine hydrochloride5505-63-553 % similar Glucosamine hydrochloride66-84-253 % similar D-Glucosamine sulfate14999-43-049 % similar Glucosamine sulfate29031-19-449 % similar D-Glucosaminic acid3646-68-246 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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