Basic information
- CAS
131426-61-4- Standard SMILES
CN[C@@H]1[C@H](O)[C@@H](O)[C@H](O[C@H]2c3cc(C)c(C(=O)N[C@H](CO)C(=O)O)c(O)c3-c3c(cc4c(c3O)C(=O)c3cc(OC)cc(O)c3C4=O)[C@@H]2O)O[C@@H]1C- InChIKey
YLKHGLQUCDIHFA-VKUZSMOCSA-N- Molecular formula
- C35H36N2O15
- Average molar mass
- 724.7 g/mol
- Monoisotopic mass
- 724.21156845
Overview
Pradimicin FB has been reported in Actinomadura with data available.
Names & identifiers
- Preferred name
- Pradimicin FB
- IUPAC
- (2R)-2-[[(5S,6S)-5-[(2S,3R,4S,5R,6R)-3,4-dihydroxy-6-methyl-5-(methylamino)oxan-2-yl]oxy-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]-3-hydroxypropanoic acid
- English name
- Pradimicin FB
- Molecular formula
- C35H36N2O15
- Molecular weight
- 724.67
Names & synonyms
Pradimicin FB131426-61-4DTXSID00157048(2R)-2-[[(5S,6S)-5-[(2S,3R,4S,5R,6R)-3,4-dihydroxy-6-methyl-5-(methylamino)oxan-2-yl]oxy-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]-3-hydroxypropanoic acidD-Serine, N-((5-((4,6-dideoxy-4-(methylamino)-beta-D-galactopyranosyl)oxy)-5,6,8,13-tetrahydro-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxobenzo(a)naphthacen-2-yl)carbonyl)-, (5S-trans)-(2R)-2-(((5S,6S)-5-((2S,3R,4S,5R,6R)-3,4-dihydroxy-6-methyl-5-(methylamino)oxan-2-yl)oxy-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo(a)tetracene-2-carbonyl)amino)-3-hydroxypropanoic acidRefChem:175696DTXCID7079539(2R)-2-[(5S,6S)-5-{[(2S,3R,4S,5R,6R)-3,4-Dihydroxy-6-methyl-5-(methylamino)oxan-2-yl]oxy}-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6,8,13-tetrahydrobenzo[a]tetracene-2-carboxamido]-3-hydroxypropanoic acidD-Serine, N-[[(5S,6S)-5-[[4,6-dideoxy-4-(methylamino)-β-D-galactopyranosyl]oxy]-5,6,8,13-tetrahydro-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxobenzo[a]naphthacen-2-yl]carbonyl]- (9CI)
Properties
Computed structural properties
- XLogP
- -1.4
- Topological polar surface area
- 282 Ų
- Hydrogen bond donors
- 10
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 8
- Heavy atoms
- 52
- Formal charge
- 0
- Complexity
- 1,370
Physicochemical properties
- Boiling point
- 1053.4 · 1053.4±65.0 °C(Predicted)
- Density
- 1.7 · 1.70±0.1 g/cm3(Predicted)
- pka
- 2.59 · 2.59±0.10(Predicted)
Chemistry & industry
Suppliers1 total
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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