1-Naphthacenecarboxylic acid, 1,2,3,4,6,11-hexahydro-6,11-dioxo-2-(2-oxopropyl)-4-((2,3,6-trideoxy-3-(dimethylamino)-4-O-((2S-(2-alpha,5-beta(2R*,5R*,6R*),6-beta))-tetrahydro-6-methyl-5-((tetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl)oxy)-2H-pyran-2-yl)-alha-L-lyxo-hexopyranosyl)oxy)-2,5,7-trihydroxy-, methyl ester, (1R-(1alpha,2-beta,4-beta))-
Basic information
- CAS
83753-81-5- Standard SMILES
COC(=O)[C@@H]1c2cc3c(c(O)c2[C@@H](O[C@H]2C[C@H](N(C)C)[C@H](O[C@H]4CC[C@H](O[C@H]5CC[C@H](O)[C@H](C)O5)[C@H](C)O4)[C@H](C)O2)C[C@]1(O)CC(C)=O)C(=O)c1c(O)cccc1C3=O- InChIKey
MLUQAMZHTPPIHO-SOBIJWGVSA-N- Molecular formula
- C43H55NO15
- Average molar mass
- 825.9 g/mol
- Monoisotopic mass
- 825.35717005
Overview
Sulfurmycin G has been reported in Streptomyces galilaeus and Streptomyces bobili with data available.
Names & identifiers
- Preferred name
- 1-Naphthacenecarboxylic acid, 1,2,3,4,6,11-hexahydro-6,11-dioxo-2-(2-oxopropyl)-4-((2,3,6-trideoxy-3-(dimethylamino)-4-O-((2S-(2-alpha,5-beta(2R*,5R*,6R*),6-beta))-tetrahydro-6-methyl-5-((tetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl)oxy)-2H-pyran-2-yl)-alha-L-lyxo-hexopyranosyl)oxy)-2,5,7-trihydroxy-, methyl ester, (1R-(1alpha,2-beta,4-beta))-
- IUPAC
- methyl (1R,2S,4S)-4-[(2R,4S,5S,6S)-4-(dimethylamino)-5-[(2S,5S,6S)-5-[(2S,5S,6S)-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-2,5,7-trihydroxy-6,11-dioxo-2-(2-oxopropyl)-3,4-dihydro-1H-tetracene-1-carboxylate
- English name
- sulfurmycin G
- Molecular formula
- C43H55NO15
- Molecular weight
- 825.89
Names & synonyms
1-Naphthacenecarboxylic acid, 1,2,3,4,6,11-hexahydro-6,11-dioxo-2-(2-oxopropyl)-4-((2,3,6-trideoxy-3-(dimethylamino)-4-O-((2S-(2-alpha,5-beta(2R*,5R*,6R*),6-beta))-tetrahydro-6-methyl-5-((tetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl)oxy)-2H-pyran-2-yl)-alha-L-lyxo-hexopyranosyl)oxy)-2,5,7-trihydroxy-, methyl ester, (1R-(1alpha,2-beta,4-beta))-DTXSID301003793Methyl (1R,2S,4S)-2,5,7-trihydroxy-6,11-dioxo-2-(2-oxopropyl)-4-({2,3,6-trideoxy-3-(dimethylamino)-4-O-[(2S,5S,6S)-5-{[(2S,5S,6S)-5-hydroxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]-alpha-L-lyxo-hexopyranosyl}oxy)-1,2,3,4,6,11-hexahydrotetracene-1-carboxylateMethyl 2,5,7-trihydroxy-6,11-dioxo-2-(2-oxopropyl)-4-{[2,3,6-trideoxy-3-(dimethylamino)-4-O-{5-[(5-hydroxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydrotetracene-1-carboxylatesulfurmycin G1-Naphthacenecarboxylic acid, 1,2,3,4,6,11-hexahydro-2,5,7-trihydroxy-6,11-dioxo-2-(2-oxopropyl)-4-[[2,3,6-trideoxy-3-(dimethylamino)-4-O-[(2S,5S,6S)-tetrahydro-6-methyl-5-[[(2S,5S,6S)-tetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl]oxy]-2H-pyran-2-yl]-α-L-lyxo-hexopyranosyl]oxy]-, methyl ester, (1R,2S,...
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 217 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 11
- Heavy atoms
- 59
- Formal charge
- 0
- Complexity
- 1,550
Physicochemical properties
- Boiling point
- 897.3 · 897.3±65.0 °C(Predicted)
- Density
- 1.4 · 1.40±0.1 g/cm3(Predicted)
- pka
- 6.34 · 6.34±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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