chempirical

N-Acetylmannosamine

C8H15NO6CAS 7772-94-3221.21 g/mol

Open in Covalent MOL file
OHNHOOHOHOHO
AlcoholEther

Properties

Molecular formula
C8H15NO6
Molar mass
221.21 g/mol
Exact mass
221.0899 Da
logP
-2.24Crippen estimate
Polar surface area
122.7 Ų
H-bond donors / acceptors
5 / 6
Rotatable bonds
2
Stereocentres
S, R, S, R, Rin SMILES atom order

Hazards

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

Identifiers

CAS number
7772-94-3
SMILES
CC(O)=N[C@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O
InChIKey
OVRNDRQMDRJTHS-OZRXBMAMSA-N
InChI
InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5+,6-,7-,8-/m1/s1

Weigh it out

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

Names and synonyms

3 names
  • β-D-Mannopyranose, 2-(acetylamino)-2-deoxy-
  • Mannopyranose, 2-acetamido-2-deoxy-, β-D-
  • 2-(Acetylamino)-2-deoxy-β-D-mannopyranose

Work with N-Acetylmannosamine

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

N-Acetyl-α-D-glucosamine10036-64-3Diastereomer N-Acetyl-α-D-galactosamine14215-68-0Diastereomer

Similar compounds

Phenyl 2-(acetylamino)-2-deoxy-α-D-glucopyranoside10139-04-560 % similar Phenylmethyl 2-(acetylamino)-2-deoxy-α-D-glucopyranoside13343-62-957 % similar 2-Azido-2-deoxy-D-glucose56883-39-752 % similar N,N′-Diacetylchitobiose35061-50-852 % similar D-Galactopyranose10257-28-050 % similar β-D-Glucose492-61-550 % similar α-D-Glucose492-62-650 % similar β-D-Allopyranose7283-09-250 % similar

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

Same formula

N-Acetylgalactosamine1811-31-0 N-Acetylglucosamine7512-17-6 Acetylglucosamine98632-70-3

Elsewhere

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