2''-Formimidoylistamycin A
Basic information
- CAS
81202-83-7- Standard SMILES
CNCC1CCC(N)C(OC2CC(N)C(OC)C(O)C2N(C)C(=O)CN=CN)O1- InChIKey
FBYTVIISAJWXNX-UHFFFAOYSA-N- Molecular formula
- C18H36N6O5
- Average molar mass
- 416.5 g/mol
- Monoisotopic mass
- 416.27471827
Overview
N-[4-amino-6-[3-amino-6-(methylaminomethyl)oxan-2-yl]oxy-2-hydroxy-3-methoxycyclohexyl]-2-(aminomethylideneamino)-N-methylacetamide has been reported in Streptomyces tenjimariensis with data available.
Names & identifiers
- Preferred name
- 2''-Formimidoylistamycin A
- IUPAC
- N-[4-amino-6-[3-amino-6-(methylaminomethyl)oxan-2-yl]oxy-2-hydroxy-3-methoxycyclohexyl]-2-(aminomethylideneamino)-N-methylacetamide
- English name
- 2''-formimidoylistamycin A
- Molecular formula
- C18H36N6O5
- Molecular weight
- 416.52
Names & synonyms
2''-Formimidoylistamycin A81202-83-7RefChem:908355N-[4-amino-6-[3-amino-6-(methylaminomethyl)oxan-2-yl]oxy-2-hydroxy-3-methoxycyclohexyl]-2-(aminomethylideneamino)-N-methylacetamideDTXSID9010018405-Amino-3-hydroxy-2-{[N-(iminomethyl)glycyl](methyl)amino}-4-methoxycyclohexyl 2-amino-2,3,4,6-tetradeoxy-6-(methylamino)hexopyranosideL-chiro-Inositol, 4-amino-3-O-(2-amino-2,3,4,6-tetradeoxy-6-(methylamino)-alpha-D-erythro-hexopyranosyl)-1,4,5-trideoxy-1-((((iminomethyl)amino)acetyl)methylamino)-6-O-methyl-Istamycin A-32' -N-Formimidoylistamycin A2''-N-Formimidoylistamycin A4-Amino-3-O-[2-amino-2,3,4,6-tetradeoxy-6-(methylamino)-α-D-erythro-hexopyranosyl]-1,4,5-trideoxy-1-[[[(iminomethyl)amino]acetyl]methylamino]-6-O-methyl-L-chiro-inositolL-chiro-Inositol, 4-amino-3-O-[2-amino-2,3,4,6-tetradeoxy-6-(methylamino)-α-D-erythro-hexopyranosyl]-1,4,5-trideoxy-1-[[2-[(iminomethyl)amino]acetyl]methylamino]-6-O-methyl-
Database identifiers
- CAS
81202-83-7
Properties
Computed structural properties
- XLogP
- -3.2
- Topological polar surface area
- 171 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 553
Physicochemical properties
- Boiling point
- 590.9 · 590.9±60.0 °C(Predicted)
- Density
- 1.45 · 1.45±0.1 g/cm3(Predicted)
- pka
- 13.37 · 13.37±0.70(Predicted)
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Compound notes
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