Basic information
- CAS
38854-46-5- Standard 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]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5NC(C)=O)[C@H](O)[C@H]4NC(C)=O)[C@H](O)[C@H]3NC(C)=O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O- InChIKey
FUHDMRPNDKDRFE-LPUYKFNUSA-N- Molecular formula
- C48H80N6O31
- Average molar mass
- 1,237.2 g/mol
- Monoisotopic mass
- 1,236.4867998
Names & identifiers
- Preferred name
- N-Acetylchitohexaose
- IUPAC
- N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R)-5-acetamido-1,2,4-trihydroxy-6-oxohexan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
- English name
- N,N',N'',N''',N'''',N'''''-Hexaacetylchitohexaose
- Molecular formula
- C48H80N6O31
- Molecular weight
- 1237.17
Names & synonyms
Hexa-N-acetylchitohexaose38854-46-5N-AcetylchitohexaoseNacos-6DTXSID501315100HNACHRefChem:162691DTXCID701745012GLCNAC-BETA1-4GLCNAC-BETA1-4GLCNAC-BETA1-4GLCNAC-BETA1-4GLCNAC-BETA1-4GLCNACN-Acetylglucosamine hexamerChitohexaose, hexa-N-acetylN-Acetylglucosamine hexasaccharide
Show more names
N-acetylated chitohexaosechitohexaose,hexa-n-acetyln-acetylglucosaminehexamerHEXA-(N-ACETYL) CHITOHEXAOSEChitinhexaose DP6 (>90% RMN)Hexaacetyl-Chitohexaose- 10mgN,N,N,N,N-Hexaacetylchitohexaose
MFCD00210241BRN 0001006YEH95NG3ERorb1690553SCHEMBL27095430HY-N7698BFUHDMRPNDKDRFE-LPUYKFNUSA-NC48H80N6O31
Properties
Computed structural properties
- XLogP
- -13.6
- Topological polar surface area
- 567 Ų
- Hydrogen bond donors
- 20
- Hydrogen bond acceptors
- 31
- Rotatable bonds
- 26
- Heavy atoms
- 85
- Formal charge
- 0
- Complexity
- 2,220
Physicochemical properties
- Melting point
- 250 °C · >250°C (dec.)
- alpha
- -11.4 · -11.4 º (in H2O)
- Boiling point
- 1652.6 · 1652.6±65.0 °C(Predicted)
- Density
- 1.6 · 1.60±0.1 g/cm3(Predicted)
- storage temp.
- 20 °C · −20°C
- solubility
- Water (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 12.72 · 12.72±0.70(Predicted)
- color
- White to Off-White
- Stability
- Hygroscopic
- InChIKey
- GVTXKCFKWGVHBK-KLSSMJSINA-N
- Safety Statements
- 24 · 24/25
- WGK Germany
- 3 · 3
- RTECS
- 6653000 · LZ6653000
- HS Code
- 29400090 · 29400090
Safety & regulation
Safety data
- wgk
- 3
- rtecs
- LZ6653000
- hs_code
- 29400090
- safety_code
- 24/25
Chemistry & industry
Applications
Usescation exchanger ~1.4 meq/g
UsesVarious publications have cited the use of N,N',N'',N''',N'''',N'''''-Hexaacetylchitohexaose in mutagenesis studies due to its antitumor effects. Hexa-N-acetylchitohexaose is a hexamer of N-acetylglucosamine, a subunit of the natural polymer chitin. It functions as an elicitor in plants, inducing the expression of chitinases.Like chitin and some of its derivatives, hexa-N-acetylchitohexaose is a substrate of lysozyme.It also binds LysM domains on certain proteins, including an endopeptidase of T. thermophilus.Hexa-N-acetylchitohexaose heightens the immune response against Pseudomonas and Listeria in mice, stimulates cytokine secretion in mesenchymal stem cells, and inhibits nitric oxide production by activated macrophages.
UsesStudied for anti-tumor effects
Suppliers39 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
上海惠诚生物科技有限公司60498804 18930850192 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
上海哲研生物科技有限公司021-18017610038 18017610038 · [email protected]
Aladdin Scientific[email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
上海维亦特生物科技有限公司15317051735 · [email protected]
Related reactions
1 records
Compound notes
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