Basic information
- CAS
139636-00-3- Standard SMILES
CO[C@H]1[C@H](O)[C@@H](O)[C@H](n2c(Cl)cc3c(=O)c4c(O)c(Cl)cc(C)c4oc32)O[C@@H]1CO- InChIKey
ZXYNPGZWOMFXHV-JUTSKPLTSA-N- Molecular formula
- C19H19Cl2NO8
- Average molar mass
- 460.3 g/mol
- Monoisotopic mass
- 459.048772
Overview
Pyralomicin 2a is a member of chromones.
Names & identifiers
- Preferred name
- Pyralomicin 2a
- IUPAC
- 2,6-dichloro-1-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]-5-hydroxy-8-methylchromeno[2,3-b]pyrrol-4-one
- English name
- Pyralomicin 2a
- Molecular formula
- C19H19Cl2NO8
- Molecular weight
- 460.26
Names & synonyms
Pyralomicin 2a2,6-dichloro-1-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]-5-hydroxy-8-methylchromeno[2,3-b]pyrrol-4-one2,6-dichloro-1-((2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl)-5-hydroxy-8-methylchromeno(2,3-b)pyrrol-4-oneRefChem:1097175Antibiotic MI 178-34F18A1139636-00-3(1)Benzopyrano(2,3-b)pyrrol-4(1H)-one, 2,6-dichloro-5-hydroxy-8-methyl-1-(4-O-methylhexopyranosyl)-orb3024660DTXSID70161137CHEBI:215027TN102612,6-Dichloro-5-hydroxy-8-methyl-1-(4-O-methyl-beta-D-glucopyranosyl)[1]benzopyrano[2,3-b]pyrrol-4(1H)-one
Show more names
[1]Benzopyrano[2,3-b]pyrrol-4(1H)-one, 2,6-dichloro-5-hydroxy-8-methyl-1-(4-O-methyl-β-D-glucopyranosyl)-
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 658
Physicochemical properties
- Boiling point
- 745.2 · 745.2±60.0 °C(Predicted)
- Density
- 1.78 · 1.78±0.1 g/cm3(Predicted)
- pka
- 5.89 · 5.89±0.20(Predicted)
Chemistry & industry
Suppliers2 total
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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