Basic information
- CAS
50474-67-4- Standard SMILES
NC[C@H]1O[C@H](O[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)[C@@H](O)[C@H](N)C[C@@H]2N)[C@H](N)[C@@H](O)[C@@H]1O- InChIKey
NSKGQURZWSPSBC-FEIQWUCZSA-N- Molecular formula
- C17H34N4O10
- Average molar mass
- 454.5 g/mol
- Monoisotopic mass
- 454.22749329
Overview
Xylostasin is an amino sugar.
Names & identifiers
- Preferred name
- Xylostasin
- IUPAC
- (2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol
- English name
- XYLOSTASIN
- Molecular formula
- C17H34N4O10
- Molecular weight
- 454.47
Names & synonyms
Xylostasin50474-67-4DTXSID901318425RefChem:1101096DTXCID9017482365-amino-2-(aminomethyl)-6-(4,6-diamino-2-(3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl)oxy-3-hydroxycyclohexyl)oxyoxane-3,4-diolXylostacinXylostasine5-O-XylosylneamineXylosylneamineNSC 236658D-Streptamine, O-2,6-diamino-2,6-dideoxy-alpha-D-glucopyranosyl-(1-4)-O-(beta-D-xylofuranosyl-(1-5))-2-deoxy-
Show more names
NSC236658NSC-2366585-Xylosylneamine-xylofuranosyl-(1-5))-2-deoxy-
orb1694785SCHEMBL20530016CHEBI:81199NSKGQURZWSPSBC-FEIQWUCZSA-NAKOS040754484(2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diolC17584T35206
Database identifiers
- CAS
50474-67-4
Properties
Computed structural properties
- XLogP
- -6.3
- Topological polar surface area
- 262 Ų
- Hydrogen bond donors
- 10
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 593
Physicochemical properties
- Melting point
- 150 · 150-180 °C (decomp)
- Boiling point
- 769.8 · 769.8±60.0 °C(Predicted)
- Density
- 1.6 · 1.60±0.1 g/cm3(Predicted)
- pka
- 13.15 · 13.15±0.70(Predicted)
Chemistry & industry
Suppliers2 total
湖北扬信医药科技有限公司15347293736 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
3 records
Compound notes
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