Basic information
- CAS
60504-95-2- Standard SMILES
CCCC[C@H]1C(=O)O[C@H](C)[C@H](NC(=O)c2cccc(NC=O)c2O)C(=O)O[C@@H](C)[C@@H]1O- InChIKey
RQVHZRRXZBBXMY-ZMNIPVBYSA-N- Molecular formula
- C21H28N2O8
- Average molar mass
- 436.5 g/mol
- Monoisotopic mass
- 436.18456586
Overview
Deisovalerylblastmycin has been reported in Streptomyces antibioticus with data available.
Names & identifiers
- Preferred name
- Deisovalerylblastmycin
- IUPAC
- N-[(2R,3S,6S,7R,8R)-8-butyl-7-hydroxy-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-3-yl]-3-formamido-2-hydroxybenzamide
- English name
- N-[(3S,4R,7R,8R,9S)-4,9-Dimethyl-2,6-dioxo-7-butyl-8-hydroxy-1,5-dioxonane-3-yl]-3-(formylamino)-2-hydroxybenzamide
- Molecular formula
- C21H28N2O8
- Molecular weight
- 436.46
Names & synonyms
Deisovalerylblastmycin60504-95-2DTXSID50209248N-[(2R,3S,6S,7R,8R)-8-butyl-7-hydroxy-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-3-yl]-3-formamido-2-hydroxybenzamideBenzamide, N-(7-butyl-8-hydroxy-4,9-dimethyl-2,6-dioxo-1,5-dioxonan-3-yl)-3-(formylamino)-2-hydroxy-, (3S-(3R*,4S*,7S*,8S*,9R*))-N-((2R,3S,6S,7R,8R)-8-butyl-7-hydroxy-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-3-yl)-3-formamido-2-hydroxybenzamideRefChem:131592DTXCID70131739Blastmycin, deisovalery-N-((3S,4R,7R,8R,9S)-7-butyl-8-hydroxy-4,9-dimethyl-2,6-dioxo-1,5-dioxonan-3-yl)-3-formamido-2-hydroxybenzamideN-[(3S,4R,7R,8R,9S)-7-butyl-8-hydroxy-4,9-dimethyl-2,6-dioxo-1,5-dioxonan-3-yl]-3-formamido-2-hydroxybenzamideN-(7-Butyl-8-hydroxy-4,9-dimethyl-2,6-dioxo-1,5-dioxonan-3-yl)-3-formamidosalicylamide
Show more names
N-[(3S,4R,7R,8R,9S)-4,9-Dimethyl-2,6-dioxo-7-butyl-8-hydroxy-1,5-dioxonane-3-yl]-3-(formylamino)-2-hydroxybenzamideBenzamide, N-[(3S,4R,7R,8R,9S)-7-butyl-8-hydroxy-4,9-dimethyl-2,6-dioxo-1,5-dioxonan-3-yl]-3-(formylamino)-2-hydroxy-
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 151 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 657
Physicochemical properties
- Melting point
- 187 °C · 187°C
- Boiling point
- 548.92 °C · 548.92°C (rough estimate)
- Density
- 1.3423 · 1.3423 (rough estimate)
- refractive index
- 1.65 · 1.6500 (estimate)
- pka
- 7.28 · 7.28±0.50(Predicted)
Chemistry & industry
Suppliers2 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [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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