Deoxydynemicin A
Basic information
- CAS
130640-33-4- Standard SMILES
COC1=C(C(=O)O)C(C)C23OC24c2cc(O)c5c(c2NC3C#C/C=C\C#CC14)C(=O)c1c(O)cccc1C5=O- InChIKey
RVUGUFLMKMPZBW-ARJAWSKDSA-N- Molecular formula
- C30H19NO8
- Average molar mass
- 521.5 g/mol
- Monoisotopic mass
- 521.11106656
Overview
Deoxydynemicin A has been reported in Micromonospora globosa with data available.
Names & identifiers
- Preferred name
- Deoxydynemicin A
- IUPAC
- (11Z)-21,28-dihydroxy-7-methoxy-5-methyl-19,26-dioxo-3-oxa-16-azaheptacyclo[15.12.0.02,4.02,8.04,15.018,27.020,25]nonacosa-1(29),6,11,17,20(25),21,23,27-octaen-9,13-diyne-6-carboxylic acid
- English name
- deoxydynemicin A
- Molecular formula
- C30H19NO8
- Molecular weight
- 521.47376
Names & synonyms
Deoxydynemicin A130640-33-4(11Z)-21,28-dihydroxy-7-methoxy-5-methyl-19,26-dioxo-3-oxa-16-azaheptacyclo[15.12.0.02,4.02,8.04,15.018,27.020,25]nonacosa-1(29),6,11,17,20(25),21,23,27-octaen-9,13-diyne-6-carboxylic acid(11Z)-21,28-dihydroxy-7-methoxy-5-methyl-19,26-dioxo-3-oxa-16-azaheptacyclo(15.12.0.02,4.02,8.04,15.018,27.020,25)nonacosa-1(29),6,11,17,20(25),21,23,27-octaen-9,13-diyne-6-carboxylic acidRefChem:131947Deoxydynemycin A
Database identifiers
- CAS
130640-33-4- PubChem CID
- 6444006
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 2
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 1,400
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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