Sulfuric acid--4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxyhexopyranosyl)pentofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-2-deoxyhexopyranoside (1/1)
Basic information
- CAS
11048-06-9- Standard SMILES
NC[C@@H]1O[C@H](O[C@@H]2[C@@H](CO)OC(O[C@H]3C(O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4N)[C@@H](N)C[C@@H](N)[C@@H]3O)[C@@H]2O)[C@H](N)[C@@H](O)[C@@H]1O.O=S(=O)(O)O- InChIKey
LJRDOKAZOAKLDU-UMIPPVEZSA-N- Molecular formula
- C23H47N5O18S
- Average molar mass
- 713.7 g/mol
- Monoisotopic mass
- 713.26368084
Names & identifiers
- Preferred name
- Sulfuric acid--4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxyhexopyranosyl)pentofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-2-deoxyhexopyranoside (1/1)
- IUPAC
- (2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(2R,3S,4R)-5-[(1R,3S,5R,6S)-3,5-diamino-2-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol;sulfuric acid
Names & synonyms
MFCD00079278SCHEMBL2527138DTXSID40911702AKOS01589624411048-06-9Sulfuric acid--(2R,3S,4R,6S)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-2-deoxy-alpha-D-glucopyranoside (1/1)Sulfuric acid--4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxyhexopyranosyl)pentofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-2-deoxyhexopyranoside (1/1)
Database identifiers
- CAS
11048-06-9- PubChem CID
- 64144
- DTXSID
DTXSID40911702
Properties
Computed structural properties
- Topological polar surface area
- 430 Ų
- Hydrogen bond donors
- 15
- Hydrogen bond acceptors
- 23
- Rotatable bonds
- 9
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 952
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Related reactions
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Compound notes
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