Methyl 2-ethyl-2,5,7,10-tetrahydroxy-6,11-dioxo-4-{[2,3,6-trideoxy-3-(dimethylamino)hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate
Basic information
- CAS
668-17-7- Standard SMILES
CC[C@@]1(O)C[C@H](OC2CC(N(C)C)C(O)C(C)O2)c2c(cc3c(c2O)C(=O)c2c(O)ccc(O)c2C3=O)[C@H]1C(=O)OC- InChIKey
ZJBMQVPEJHVSQA-KNYUDZPRSA-N- Molecular formula
- C30H35NO11
- Average molar mass
- 585.6 g/mol
- Monoisotopic mass
- 585.22101093
Names & identifiers
- Preferred name
- Methyl 2-ethyl-2,5,7,10-tetrahydroxy-6,11-dioxo-4-{[2,3,6-trideoxy-3-(dimethylamino)hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate
- IUPAC
- methyl (1R,2R,4S)-4-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7,10-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
- English name
- pyrromycin
- Molecular formula
- C30H35NO11
- Molecular weight
- 585.602
Names & synonyms
NSC267229CHEMBL1980284SCHEMBL18593717DTXSID40985362NSC-267229NCI60_002158PD011802WLN: L E6 C666 BV MVT&&&J DQ HQ H2 IVO1 OQ RQ FO- FT6OTJ B1 CQ DN1&11-Naphthacenecarboxylic acid,2,3,4,6,11-hexahydro-2,5,7,10-tetrahydroxy-6,11-dioxo-4-[[2,3,6-trideoxy-3-(dimethylamino)-.alpha.-L-lyxo-hexopyranosyl]oxy]-, methyl ester, [1R-(1.alpha.,2.beta.,4.beta.)]-Methyl (1R,2R,4S)-2-ethyl-2,5,7,10-tetrahydroxy-6,11-dioxo-4-{[2,3,6-trideoxy-3-(dimethylamino)hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydrotetracene-1-carboxylateMethyl 2-ethyl-2,5,7,10-tetrahydroxy-6,11-dioxo-4-{[2,3,6-trideoxy-3-(dimethylamino)hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydrotetracene-1-carboxylatepyrromycin
Show more names
Ciclamycin 6Antibiotic MA-144T2(1R)-2-Ethyl-1,2,3,4,6,11-hexahydro-2α,5,7,10-tetrahydroxy-6,11-dioxo-4α-[[2,3,6-trideoxy-3-(dimethylamino)-α-L-lyxo-hexopyranosyl]oxy]-1-naphthacenecarboxylic acid methyl ester(1R)-2-Ethyl-1,2,3,4,6,11-hexahydro-2α,5,7,10-tetrahydroxy-6,11-dioxo-4α-[[3-(dimethylamino)-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl]oxy]-1β-naphthacenecarboxylic acid methyl ester
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 183 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 6
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 1,050
Physicochemical properties
- Boiling point
- 745.6 · 745.6±60.0 °C(Predicted)
- Density
- 1.5 · 1.50±0.1 g/cm3(Predicted)
- pka
- 6.2 · 6.20±0.70(Predicted)
Chemistry & industry
Applications
DescriptionPyrromycin is a monosaccharide anthracycline which can be used to inhibit cellular RNA synthesis.
Additional notes
DefinitionChEBI: Pyrromycin is an anthracycline.
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