Basic information
- CAS
744999-23-3- Standard SMILES
C=CC1=C(C)c2cc3nc(c(CC(=O)[O-])c4[n-]c(cc5[n-]c(cc1n2)c(C)c5CC)c(C)c4C(=O)[O-])C(CCC(=O)[O-])C3C.[Mg+2]- InChIKey
UVOXKYYHMDAWNK-UHFFFAOYSA-I- Molecular formula
- C34H31MgN4O6-3
- Average molar mass
- 615.9 g/mol
- Monoisotopic mass
- 615.2094014
Names & identifiers
- Preferred name
- Magnesate(3-), [3-carboxy-5-(carboxymethyl)-13-ethenyl-18-ethyl-7,8-dihydro-2,8,12,17-tetramethyl-21H,23H-porphine-7-propanoato(5-)-kappaN21,kappaN22,kappaN23,kappaN24]-, (SP-4-2)-
- IUPAC
- magnesium 18-(2-carboxylatoethyl)-20-(carboxylatomethyl)-12-ethenyl-7-ethyl-3,8,13,17-tetramethyl-17,18-dihydroporphyrin-21,22-diide-2-carboxylate
Names & synonyms
DTXSID90273943744999-23-3Magnesate(3-), [3-carboxy-5-(carboxymethyl)-13-ethenyl-18-ethyl-7,8-dihydro-2,8,12,17-tetramethyl-21H,23H-porphine-7-propanoato(5-)-kappaN21,kappaN22,kappaN23,kappaN24]-, (SP-4-2)-
Database identifiers
- CAS
744999-23-3- PubChem CID
- 165339331
- DTXSID
DTXSID90273943
Properties
Computed structural properties
- Topological polar surface area
- 148 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 45
- Formal charge
- -3
- Complexity
- 1,070
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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