3-de-O-methylsporaricin A sulfate
Basic information
- CAS
82950-18-3- Standard SMILES
CC(N)C1CCC(N)C(OC2C(N)CC(O)C(N(C)C(=O)CN)C2O)O1.O=S(=O)(O)O.O=S(=O)(O)O- InChIKey
GXEGVOVKMLSAJW-UHFFFAOYSA-N- Molecular formula
- C16H37N5O13S2
- Average molar mass
- 571.6 g/mol
- Monoisotopic mass
- 571.1829286
Overview
structure in first source
Names & identifiers
- Preferred name
- 3-de-O-methylsporaricin A sulfate
- IUPAC
- 2-amino-N-[4-amino-3-[3-amino-6-(1-aminoethyl)oxan-2-yl]oxy-2,6-dihydroxycyclohexyl]-N-methylacetamide;sulfuric acid
- English name
- 3-de-O-methylsporaricin A sulfate
- Molecular formula
- C16H37N5O13S2
- Molecular weight
- 571.62068
Names & synonyms
3-De-O-methylsporaricin A sulfate82950-18-3K-4619RefChem:93604K 4619DTXSID2010030192-amino-N-[4-amino-3-[3-amino-6-(1-aminoethyl)oxan-2-yl]oxy-2,6-dihydroxycyclohexyl]-N-methylacetamide;sulfuric acidD-allo-Inositol, 2-amino-5-((aminoacetyl)methylamino)-2,3,5-trideoxy-1-O-(2,6-diamino-2,3,4,6,7-pentadeoxy-beta-L-lyxo-heptopyranosyl)-, (1alpha,2beta,2aalpha,3aalpha)-Sulfuric acid--6-amino-3-[glycyl(methyl)amino]-2,4-dihydroxycyclohexyl 2,6-diamino-2,3,4,6,7-pentadeoxyheptopyranoside (2/1)2-amino-N-[4-amino-3-[3-amino-6-(1-aminoethyl)oxan-2-yl]oxy-2,6-dihydroxycyclohexyl]-N-methylacetamide
Database identifiers
- CAS
82950-18-3- PubChem CID
- 196235
- DTXSID
DTXSID201003019
Properties
Computed structural properties
- Topological polar surface area
- 349 Ų
- Hydrogen bond donors
- 10
- Hydrogen bond acceptors
- 17
- Rotatable bonds
- 5
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 565
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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