Basic information
- CAS
120796-26-1- Standard SMILES
CC(=O)O[C@@H]1c2c(c3c(n2C#N)C(=O)c2c(O)cccc2C3=O)[C@H](O)[C@@H](O)[C@@]1(C)O- InChIKey
SCLQHBRYNQYXBX-MTQWCTHYSA-N- Molecular formula
- C20H16N2O8
- Average molar mass
- 412.3 g/mol
- Monoisotopic mass
- 412.09066547
Overview
[(1S,2R,3R,4R)-5-cyano-1,2,3,7-tetrahydroxy-3-methyl-6,11-dioxo-2,4-dihydro-1H-benzo[h]carbazol-4-yl] acetate has been reported in Streptomyces murayamaensis with data available.
Names & identifiers
- Preferred name
- [(1S,2R,3R,4R)-5-cyano-1,2,3,7-tetrahydroxy-3-methyl-6,11-dioxo-2,4-dihydro-1H-benzo[h]carbazol-4-yl] acetate
- IUPAC
- [(1S,2R,3R,4R)-5-cyano-1,2,3,7-tetrahydroxy-3-methyl-6,11-dioxo-2,4-dihydro-1H-benzo[h]carbazol-4-yl] acetate
Names & synonyms
[(1S,2R,3R,4R)-5-cyano-1,2,3,7-tetrahydroxy-3-methyl-6,11-dioxo-2,4-dihydro-1H-benzo[h]carbazol-4-yl] acetate(1S,2R,3R,4R)-5-Cyano-1,2,3,7-tetrahydroxy-3-methyl-6,11-dioxo-2,3,4,5,6,11-hexahydro-1H-benzo[b]carbazol-4-yl acetate
Database identifiers
- CAS
120796-26-1- PubChem CID
- 129259
- DTXSID
DTXSID40153009
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 170 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 2
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 838
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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