Maridomycin III
Basic information
- CAS
35775-82-7- Standard SMILES
CCC(=O)OC1CC(=O)OC(C)CC2OC2/C=C/C(O)C(C)CC(CC=O)C(OC2OC(C)C(OC3CC(C)(O)C(OC(=O)CC)C(C)O3)C(N(C)C)C2O)C1OC- InChIKey
FFXJTOKFQATYBI-BUHFOSPRSA-N- Molecular formula
- C41H67NO16
- Average molar mass
- 830 g/mol
- Monoisotopic mass
- 829.44598505
Overview
Maridomycin III is an aminoglycoside.
Names & identifiers
- Preferred name
- Maridomycin III
- IUPAC
- [(14E)-9-[4-(dimethylamino)-3-hydroxy-5-(4-hydroxy-4,6-dimethyl-5-propanoyloxyoxan-2-yl)oxy-6-methyloxan-2-yl]oxy-13-hydroxy-8-methoxy-3,12-dimethyl-5-oxo-10-(2-oxoethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-7-yl] propanoate
- English name
- maridomycin III
- Molecular formula
- C41H67NO16
- Molecular weight
- 829.98
Names & synonyms
Maridomycin III[(14E)-9-[4-(dimethylamino)-3-hydroxy-5-(4-hydroxy-4,6-dimethyl-5-propanoyloxyoxan-2-yl)oxy-6-methyloxan-2-yl]oxy-13-hydroxy-8-methoxy-3,12-dimethyl-5-oxo-10-(2-oxoethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-7-yl] propanoate((14E)-9-(4-(dimethylamino)-3-hydroxy-5-(4-hydroxy-4,6-dimethyl-5-propanoyloxyoxan-2-yl)oxy-6-methyloxan-2-yl)oxy-13-hydroxy-8-methoxy-3,12-dimethyl-5-oxo-10-(2-oxoethyl)-4,17-dioxabicyclo(14.1.0)heptadec-14-en-7-yl) propanoateRefChem:92533035775-82-7LS-87912GTPL10828CHEBI:199344FFXJTOKFQATYBI-BUHFOSPRSA-NAKOS040747137T25778Turimycin EP(sub 3)
Show more names
YL-704 (= Maridomycin III)Leucomycin V, 12,13-epoxy-12,13-dihydro-, 3,4B-dipropanoate, (12S,13S)-
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 219 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 17
- Rotatable bonds
- 14
- Heavy atoms
- 58
- Formal charge
- 0
- Complexity
- 1,400
Physicochemical properties
- Boiling point
- 886.7 · 886.7±65.0 °C(Predicted)
- Density
- 1.25 · 1.25±0.1 g/cm3(Predicted)
- pka
- 13.06 · 13.06±0.70(Predicted)
- FDA UNII
- 9 XX668K4U · J9XX668K4U
Chemistry & industry
Applications
UsesMaridomycin is an active compound.
Related reactions
1 records
Compound notes
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