N,N',N''-Triacetylchitotriose

CHITOTRIOSE · [(GlcNAc)3] · Chitintriose · Tri(N-acetylglucosaMine) · N-acetylated Chitotriose · GlcNAcβ-4GlcNAcβ-4GlcNAc · CHITOTRIOSE, TRI-N-ACETYL · N-AcetylglucosaMine TriMer

https://huagongshe.com/en/chemical/123774

N,N',N''-Triacetylchitotriose molecular structure

Identifiers & Physical Properties

CAS No.	38864-21-0
Molecular formula	C24H41N3O16
Average molar mass	627.6 g/mol
Monoisotopic mass	627.24868223 g/mol
SMILES	CC(=O)N[C@H]1[C@H](O[C@@H]([C@H](O)[C@H](C=O)NC(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]2NC(C)=O)[C@@H]1O
InChIKey	LRDDKCYRFNJZBX-WHFMPQCRSA-N
PubChem CID	123774
ChEBI	CHEBI:184133
DTXSID	DTXSID20959642

Chemical & Physical Properties

XLogP	-7.2
Topological polar surface area	303
Hydrogen bond donors	11
Hydrogen bond acceptors	16
Rotatable bonds	14
Heavy atoms	43
Formal charge	0
Complexity	944
Chemical classes	Biological Agents -> Oligosaccharides
Melting point	304 - 306 °C271-272°C dec.
Physical Description	White powder[Sigma-Aldrich MSDS]Solid
Boiling point	1146.9±65.0 °C(Predicted)
Density	1.54±0.1 g/cm3(Predicted)
Storage conditions	−20°C
Solubility	H2O: 50 mg/mL, clear to slightly hazy, colorless to faintly yellowwater: 50mg/mL, clear to slightly hazy, colorless to faintly yellow
pKa (acidity coefficient)	12.72±0.70(Predicted)
Physical state	Solid
Color	White to Pale Beige
BRN	75249
InChIKey	LRDDKCYRFNJZBX-KYRVBLBENA-N
SMILES	CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO
UNSPSC Code	12352201
NACRES	NA.25
Personal protective equipment (PPE)	Eyeshields, Gloves, type N95 (US)
Safety statements (S)	24/25
Water hazard class (WGK)	3
F	10-21
Customs code	29329990
Storage class	11 - Combustible Solids

Safety & Regulations

Hazards summary	May cause irritation[Sigma-Aldrich MSDS]
F	10-21
Personal protective equipment (PPE)	Eyeshields, Gloves, type N95 (US)
Water hazard class (WGK)	3
Customs code	29329990
Safety statements (S)	24/25
Storage class	11 - Combustible Solids

Applications & Uses

Uses

N,N’,N’’-Triacetyl Chitotriose is a multivalent glycosides with strong crosslinking activity for lectin as a specific coagulant.

Uses

N,N',N''-Triacetylchitotriose is a triose oligosaccharide derived from chitin, consisting of three N-acetylglucosamine units. It has been shown to scavenge reactive oxygen species and to protect DNA from oxidative damage.