N-Acetylchondrosine
Basic information
- CAS
18341-92-9- Standard SMILES
CC(=O)N[C@H]1C(O)O[C@H](CO)[C@H](O)[C@@H]1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O- InChIKey
LJORHONFMDUUHP-XQLAHFFZSA-N- Molecular formula
- C14H23NO12
- Average molar mass
- 397.33 g/mol
- Monoisotopic mass
- 397.12202517
Overview
N-Acetylchondrosine is a member of carbohydrates and carbohydrate derivatives.
Names & identifiers
- Preferred name
- N-Acetylchondrosine
- IUPAC
- (2S,3S,4S,5R,6R)-6-[(3R,4R,5R,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
- English name
- N-acetylchondrosine
- Molecular formula
- C14H23NO12
- Molecular weight
- 397.33
Names & synonyms
N-Acetylchondrosine18341-92-9DTXSID40880621D-Galactopyranose, 2-(acetylamino)-2-deoxy-3-O-beta-D-glucopyranuronosyl-RefChem:162693GlyTouCan:G72725CZDTXCID801021994G72725CZ(2S,3S,4S,5R,6R)-6-[(3R,4R,5R,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acidGlcA(b1-3)GalNAcCHEBI:1533972-Acetamido-2-deoxy-3-O-beta-D-glucopyranuronosyl-D-galactopyranose
Show more names
N-Acetylchondrosine Di-0SD-Galactopyranose, 2-(acetylamino)-2-deoxy-3-O-β-D-glucopyranuronosyl-
beta-D-gluco-hexopyranosyluronic acid-(1->3)-2-acetamido-2-deoxy-D-galacto-hexopyranoseD-aGalactopyranose, 2-a(acetylamino)a-a2-adeoxy-a3-aO-abeta-aD-aglucopyranuronosyl-WURCS=2.0/2,2,1/[a2112h-1x_1-5_2*NCC/3=O][a2122A-1b_1-5]/1-2/a3-b1
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- -3.9
- Topological polar surface area
- 215 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 546
Physicochemical properties
- Boiling point
- 855.7 · 855.7±65.0 °C(Predicted)
- Density
- 1.72 · 1.72±0.1 g/cm3(Predicted)
- pka
- 2.81 · 2.81±0.70(Predicted)
Chemistry & industry
Additional notes
DefinitionChEBI: N-Acetylchondrosine is a member of carbohydrates and carbohydrate derivatives.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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