Propan-2-yl 3-[3,8,13,18-tetramethyl-7,12,17-tris(3-oxo-3-propan-2-yloxypropyl)-21,22-dihydroporphyrin-2-yl]propanoate
Basic information
- CAS
145612-65-3- Standard SMILES
CC1=C(CCC(=O)OC(C)C)c2cc3nc(cc4[nH]c(cc5[nH]c(cc1n2)c(CCC(=O)OC(C)C)c5C)c(CCC(=O)OC(C)C)c4C)C(CCC(=O)OC(C)C)=C3C- InChIKey
OUWCBXGAXFQNAF-UHFFFAOYSA-N- Molecular formula
- C48H62N4O8
- Average molar mass
- 823 g/mol
- Monoisotopic mass
- 822.45676495
Names & identifiers
- Preferred name
- Propan-2-yl 3-[3,8,13,18-tetramethyl-7,12,17-tris(3-oxo-3-propan-2-yloxypropyl)-21,22-dihydroporphyrin-2-yl]propanoate
- IUPAC
- propan-2-yl 3-[3,8,13,18-tetramethyl-7,12,17-tris(3-oxo-3-propan-2-yloxypropyl)-21,22-dihydroporphyrin-2-yl]propanoate
Names & synonyms
145612-65-3propan-2-yl 3-[3,8,13,18-tetramethyl-7,12,17-tris(3-oxo-3-propan-2-yloxypropyl)-21,22-dihydroporphyrin-2-yl]propanoateDTXSID20400063AKOS024319693COPROPORPHYRIN I TETRAISOPROPYL ESTER,SYNTHETICTetra(propan-2-yl) 3,3',3'',3'''-(3,8,13,18-tetramethylporphyrin-2,7,12,17-tetrayl)tetrapropanoate
Database identifiers
- CAS
145612-65-3- PubChem CID
- 4157891
- DTXSID
DTXSID20400063
Properties
Computed structural properties
- XLogP
- 7.1
- Topological polar surface area
- 163 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 20
- Heavy atoms
- 60
- Formal charge
- 0
- Complexity
- 1,420
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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