Methyl 2,5,7-trihydroxy-2-methyl-6,11-dioxo-4-((2,3,6-trideoxy-4-O-(2,6-dideoxyhexopyranosyl)-3-(dimethylamino)hexopyranosyl)oxy)-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate
Basic information
- CAS
83753-71-3- Standard SMILES
COC(=O)[C@@H]1c2cc3c(c(O)c2[C@@H](O[C@H]2C[C@H](N(C)C)C(O[C@H]4C[C@H](O)[C@H](O)[C@H](C)O4)[C@H](C)O2)C[C@@]1(C)O)C(=O)c1c(O)cccc1C3=O- InChIKey
UMJYAGXWXMMVDD-KMOSPXHKSA-N- Molecular formula
- C35H43NO13
- Average molar mass
- 685.7 g/mol
- Monoisotopic mass
- 685.27344043
Names & identifiers
- Preferred name
- Methyl 2,5,7-trihydroxy-2-methyl-6,11-dioxo-4-((2,3,6-trideoxy-4-O-(2,6-dideoxyhexopyranosyl)-3-(dimethylamino)hexopyranosyl)oxy)-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate
- IUPAC
- methyl (1R,2R,4S)-4-[(2R,4S,6S)-5-[(2S,4S,5S,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-2,5,7-trihydroxy-2-methyl-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
- English name
- auramycin C
- Molecular formula
- C35H43NO13
- Molecular weight
- 685.719
Names & synonyms
DTXSID901003789Methyl 2,5,7-trihydroxy-2-methyl-6,11-dioxo-4-((2,3,6-trideoxy-4-O-(2,6-dideoxyhexopyranosyl)-3-(dimethylamino)hexopyranosyl)oxy)-1,2,3,4,6,11-hexahydrotetracene-1-carboxylateMethyl 2,5,7-trihydroxy-2-methyl-6,11-dioxo-4-{[2,3,6-trideoxy-4-O-(2,6-dideoxyhexopyranosyl)-3-(dimethylamino)hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydrotetracene-1-carboxylateRefChem:1089283DTXCID701430695methyl (1R,2R,4S)-4-[(2R,4S,6S)-5-[(2S,4S,5S,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-2,5,7-trihydroxy-2-methyl-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate1-Naphthacenecarboxylic acid, 1,2,3,4,6,11-hexahydro-6,11-dioxo-2-methyl-4-((2,3,6-trideoxy-4-(O-(2,6-dideoxy-alpha-L-lyxo-hexopyranosyl)-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-2,5,7-trihydroxy-, methyl ester, (1R-(1-alpha,2-beta,4-beta))-SCHEMBL29884229UMJYAGXWXMMVDD-KMOSPXHKSA-NMethyl (1R,2R,4S)-2,5,7-trihydroxy-2-methyl-6,11-dioxo-4-{[(4xi)-2,3,6-trideoxy-4-O-(2,6-dideoxy-alpha-L-lyxo-hexopyranosyl)-3-(dimethylamino)-alpha-L-threo-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 202 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 7
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 1,250
Physicochemical properties
- Boiling point
- 810.6 · 810.6±65.0 °C(Predicted)
- Density
- 1.47 · 1.47±0.1 g/cm3(Predicted)
- pka
- 6.41 · 6.41±0.70(Predicted)
Related reactions
2 records
Compound notes
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