N-Acetylmuramic acid

C₁₁H₁₉NO₈CAS 10597-89-4293.27 g/mol

Open in Covalent MOL file

Alcohol Aldehyde Carboxylic acid Ether

Properties

Molecular formula: C₁₁H₁₉NO₈
Molar mass: 293.27 g/mol
Exact mass: 293.1111 Da
logP: -1.90Crippen estimate
Polar surface area: 156.9 Å²
H-bond donors / acceptors: 5 / 7
Rotatable bonds: 9
Stereocentres: R, R, R, R, Rin SMILES atom order

Identifiers

CAS number

10597-89-4

SMILES

CC(O)=N[C@@H](C=O)[C@@H](O[C@H](C)C(=O)O)[C@H](O)[C@H](O)CO

InChIKey

SOARVSUSWULNDI-TVVSKHENSA-N

InChI

InChI=1S/C11H19NO8/c1-5(11(18)19)20-10(9(17)8(16)4-14)7(3-13)12-6(2)15/h3,5,7-10,14,16-17H,4H2,1-2H3,(H,12,15)(H,18,19)/t5-,7+,8-,9-,10-/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names

Muramic acid, N-acetyl-
D-Glucose, 2-acetamido-3-O-(D-1-carboxyethyl)-2-deoxy-
D-Glucose, 2-(acetylamino)-3-O-(1-carboxyethyl)-2-deoxy-, (R)-
(+)-N-Acetylmuramic acid

Work with N-Acetylmuramic 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-Acetylgalactosamine1811-31-065 % similar N-Acetylglucosamine7512-17-665 % similar Acetylglucosamine98632-70-365 % similar Muramic acid1114-41-663 % similar Muramyl dipeptide53678-77-660 % similar N,N′-Diacetylchitobiose35061-50-854 % similar N-Acetylchitohexaose38854-46-552 % similar N,N′,N′′-Triacetylchitotriose38864-21-052 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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