Basic information
- CAS
140395-23-9- Standard SMILES
C=Cc1c(C)c2cc3nc(c(C(=O)O)c4[nH]c(cc5nc(cc1[nH]2)C(C)=C5CC)c(C)c4C(=O)NCCCC[C@@H](N)C(=O)O)[C@@H](CCC(=O)OC)[C@@H]3C- InChIKey
DBFUILBSINJKDK-XHTYYRFUSA-N- Molecular formula
- C40H48N6O7
- Average molar mass
- 724.8 g/mol
- Monoisotopic mass
- 724.35844789
Names & identifiers
- Preferred name
- Lysyl chlorin p6
- IUPAC
- (2S,3S)-7-[[(5R)-5-amino-5-carboxypentyl]carbamoyl]-17-ethenyl-12-ethyl-3-(3-methoxy-3-oxopropyl)-2,8,13,18-tetramethyl-2,3,22,24-tetrahydroporphyrin-5-carboxylic acid
- English name
- lysyl chlorin p6
- Molecular formula
- C40H48N6O7
- Molecular weight
- 724.86
Names & synonyms
Lysyl chlorin p6140395-23-921H,23H-Porphine-2-propanoic acid, 18-(((5-amino-5-carboxypentyl)amino)carbonyl)-20-carboxy-8-ethenyl-13-ethyl-2,3-dihydro-3,7,12,17-tetramethyl-, alpha-methyl ester, (2S-(2alpha,3beta,18(R*)))-21H,23H-Porphine-7-propanoic acid, 3-[[[(5S)-5-amino-5-carboxypentyl]amino]carbonyl]-5-carboxy-13-ethenyl-18-ethyl-7,8-dihydro-2,8,12,17-tetramethyl-, α-methyl ester, (7S,8S)- (9CI)
Database identifiers
- CAS
140395-23-9- PubChem CID
- 137321925
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 213 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 14
- Heavy atoms
- 53
- Formal charge
- 0
- Complexity
- 1,320
Physicochemical properties
- Boiling point
- 1098.8 · 1098.8±65.0 °C(Predicted)
- Density
- 1.258 · 1.258±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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