CID 6450484
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Basic information
- CAS
85279-97-6- Standard SMILES
CCC[C@@H]1OC(=O)[C@@H](C)C[C@H](C)CCCCC(=O)CCC[C@@H](CC)/C=C/C=C(\COC)CC[C@@H](O)[C@@H](O)C[C@H](O)CNC1=O- InChIKey
VQWNGCSUNKJFLW-CLEPEUEQSA-N- Molecular formula
- C35H61NO8
- Average molar mass
- 623.9 g/mol
- Monoisotopic mass
- 623.4397179
Overview
Myxovirescin A has been reported in Myxococcus xanthus and Myxococcus virescens with data available.
Names & identifiers
- Preferred name
- CID 6450484
- IUPAC
- (2S,6S,8S,9R,12Z,14E,16R,25R,27S)-16-ethyl-6,8,9-trihydroxy-12-(methoxymethyl)-25,27-dimethyl-2-propyl-1-oxa-4-azacyclooctacosa-12,14-diene-3,20,28-trione
- English name
- myxovirescin A
- Molecular formula
- C35H61NO8
- Molecular weight
- 623.86
Names & synonyms
CHEMBL442007orb3024406SCHEMBL29884835HY-N14411myxovirescin AMyxovirescin A1(2S,6S,8S,9R,12Z,14E,16R,25R,27S)-16-Ethyl-6,8,9-trihydroxy-12-(methoxymethyl)-25,27-dimethyl-2-propyl-1-oxa-4-azacyclooctacosa-12,14-diene-3,20,28-trione
Database identifiers
- CAS
85279-97-6- PubChem CID
- 6450484
- ChEMBL
CHEMBL442007
Properties
Computed structural propertiesFilling in
- XLogP
- 5.3
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 888
Physicochemical properties
- Boiling point
- 796.336 · 796.336±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 0.999 · 0.999±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 13.433 · 13.433±0.70(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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