OXI-8007 free acid
Basic information
- CAS
756806-71-0- Standard SMILES
COc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)c(-c3ccc(OC)c(OP(=O)(O)O)c3)[nH]c2c1- InChIKey
YWSOZXSQASHKQU-UHFFFAOYSA-N- Molecular formula
- C26H26NO10P
- Average molar mass
- 543.5 g/mol
- Monoisotopic mass
- 543.12943302
Names & identifiers
- Preferred name
- OXI-8007 free acid
- IUPAC
- [2-methoxy-5-[6-methoxy-3-(3,4,5-trimethoxybenzoyl)-1H-indol-2-yl]phenyl] dihydrogen phosphate
Names & synonyms
OXI-8007 free acid6Z8Z3DJC9WUNII-6Z8Z3DJC9W756806-71-0(2-Methoxy-5-(6-methoxy-3-(3,4,5-trimethoxybenzoyl)-1H-indol-2-yl)phenoxy)phosphonic acid(6-Methoxy-2-(4-methoxy-3-(phosphonooxy)phenyl)-1H-indol-3-yl)(3,4,5-trimethoxyphenyl)methanoneMethanone, (6-methoxy-2-(4-methoxy-3-(phosphonooxy)phenyl)-1H-indol-3-yl)(3,4,5-trimethoxyphenyl)-CHEMBL3039684
Database identifiers
- CAS
756806-71-0- PubChem CID
- 9873181
- ChEMBL
CHEMBL3039684- UNII
- 6Z8Z3DJC9W
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 10
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 827
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Compound notes
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