Basic information
- CAS
64070-13-9- Standard SMILES
NCC1CCC(N)C(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)O1.O=S(=O)(O)O- InChIKey
GXKUKBCVZHBTJW-UHFFFAOYSA-N- Molecular formula
- C18H39N5O12S
- Average molar mass
- 549.6 g/mol
- Monoisotopic mass
- 549.23159287
Names & identifiers
- Preferred name
- Sulfuric acid--4,6-diamino-3-[(3-amino-3-deoxyhexopyranosyl)oxy]-2-hydroxycyclohexyl 2,6-diamino-2,3,4,6-tetradeoxyhexopyranoside (1/1)
- IUPAC
- 4-amino-2-[4,6-diamino-3-[3-amino-6-(aminomethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol;sulfuric acid
Names & synonyms
DTXSID70982561(2R,3r,4s,5s,6r)-4-amino-2-[(1s,2s,3r,4s,6r)-4,6-diamino-3-[(2r,3r,6s)-3-amino-6-(aminomethyl)oxan-2-yl]oxy-2-hydroxy-cyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol sulfateSulfuric acid--4,6-diamino-3-[(3-amino-3-deoxyhexopyranosyl)oxy]-2-hydroxycyclohexyl 2,6-diamino-2,3,4,6-tetradeoxyhexopyranoside (1/1)
Database identifiers
- CAS
64070-13-9- PubChem CID
- 47265
- DTXSID
DTXSID70982561
Properties
Computed structural properties
- Topological polar surface area
- 331 Ų
- Hydrogen bond donors
- 11
- Hydrogen bond acceptors
- 17
- Rotatable bonds
- 6
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 660
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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