N,N′,N′′-Triacetylchitotriose

C24H41N3O16CAS 38864-21-0627.60 g/mol

Open in Covalent MOL file
OHNOHOOHNOOHOHOHOOOOHHOHONHOHO
AcetalAlcoholAldehydeEther

Properties

Molecular formula
C24H41N3O16
Molar mass
627.60 g/mol
Exact mass
627.2487 Da
Melting point
304–306 °C (decomposes)
logP
-4.78Crippen estimate
Polar surface area
313.6 Ų
H-bond donors / acceptors
11 / 16
Rotatable bonds
14
Stereocentres
R, S, S, R, R, R, R, S, S, R, S, 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
38864-21-0
SMILES
CC(O)=N[C@H]1[C@H](O[C@@H]([C@H](O)[C@H](C=O)N=C(C)O)[C@H](O)CO)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O
InChIKey
LRDDKCYRFNJZBX-WHFMPQCRSA-N
InChI
InChI=1S/C24H41N3O16/c1-8(32)25-11(4-28)17(36)21(12(35)5-29)42-24-16(27-10(3)34)20(39)22(14(7-31)41-24)43-23-15(26-9(2)33)19(38)18(37)13(6-30)40-23/h4,11-24,29-31,35-39H,5-7H2,1-3H3,(H,25,32)(H,26,33)(H,27,34)/t11-,12+,13+,14+,15+,16+,17+,18+,19+,20+,21+,22+,23-,24-/m0/s1

Weigh it out

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

Names and synonyms

12 names
  • N,N',N''-Triacetylchitotriose
  • D-Glucose, O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→4)-2-(acetylamino)-2-deoxy-
  • Glucopyranose, O-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→4)-O-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→4)-2-acetamido-2-deoxy-, D-
  • Chitotriose, tri-N-acetyl-
  • O-2-(Acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→4)-2-(acetylamino)-2-deoxy-D-glucose
  • Chitotriose, N,N′,N′′-triacetyl-
  • Tri-N-acetylchitotriose
  • Tri-N-acetyl-D-glucosamine
  • Tri(N-acetylglucosamine)
  • N-Acetylglucosamine trimer
  • N-Acetylchitotriose
  • N′,N′′,N′′′-Triacetylchitotriose

Work with N,N′,N′′-Triacetylchitotriose

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-Acetylchitohexaose38854-46-5100 % similar N,N′-Diacetylchitobiose35061-50-894 % similar N-Acetylgalactosamine1811-31-056 % similar N-Acetylglucosamine7512-17-656 % similar Acetylglucosamine98632-70-356 % similar N-Acetylmuramic acid10597-89-452 % similar Maltotriose1109-28-051 % similar Maltotetraose34612-38-951 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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