Basic information
- CAS
106288-50-0- Standard SMILES
CNC1CC(N)C(O)C(OC2OC(CO)C(OC3OC(CN)C(O)C(O)C3N)C2O)C1OC1OC(CO)C(O)C(O)C1N- InChIKey
IXVXCXPQRNEULP-UHFFFAOYSA-N- Molecular formula
- C24H47N5O14
- Average molar mass
- 629.7 g/mol
- Monoisotopic mass
- 629.31195119
Overview
3-N-Methylparomomycin I has been reported in Streptomyces with data available.
Names & identifiers
- Preferred name
- 3-N-Methylparomomycin I
- IUPAC
- 5-amino-6-[5-[5-amino-2-[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxy-3-(methylamino)cyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-2-(aminomethyl)oxane-3,4-diol
- English name
- 3-N-methylparomomycin I
- Molecular formula
- C24H47N5O14
- Molecular weight
- 629.65508
Names & synonyms
3-N-Methylparomomycin I106288-50-05-amino-6-[5-[5-amino-2-[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxy-3-(methylamino)cyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-2-(aminomethyl)oxane-3,4-diol5-amino-6-(5-(5-amino-2-(3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-6-hydroxy-3-(methylamino)cyclohexyl)oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl)oxy-2-(aminomethyl)oxane-3,4-diolRefChem:94991DTXSID709099754-Amino-2-{[3-O-(2,6-diamino-2,6-dideoxyhexopyranosyl)pentofuranosyl]oxy}-3-hydroxy-6-(methylamino)cyclohexyl 2-amino-2-deoxyhexopyranoside
Database identifiers
- CAS
106288-50-0- PubChem CID
- 129587
- DTXSID
DTXSID70909975
Properties
Computed structural properties
- XLogP
- -8.2
- Topological polar surface area
- 333 Ų
- Hydrogen bond donors
- 13
- Hydrogen bond acceptors
- 19
- Rotatable bonds
- 10
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 886
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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