Protochlorophyllide a
Basic information
- CAS
20369-67-9- Standard SMILES
C=CC1=C(C)C2=NC1=CC1=NC(=CC3=C(C)C4=C([O-])C(C(=O)OC)C(=c5[n-]c(c(C)c5CCC(=O)O)=C2)C4=N3)C(CC)=C1C.[Mg+2]- InChIKey
QBPCOMNNISRCTC-UHFFFAOYSA-L- Molecular formula
- C35H32MgN4O5
- Average molar mass
- 613 g/mol
- Monoisotopic mass
- 612.2223118
Names & identifiers
- Preferred name
- Protochlorophyllide a
- IUPAC
- magnesium 22-(2-carboxyethyl)-16-ethenyl-11-ethyl-3-methoxycarbonyl-12,17,21,26-tetramethyl-7,24,25-triaza-23-azanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,4,6,8(26),9,11,13(25),14,16,18(24),19,21-dodecaen-4-olate
- English name
- Protochlorophyllide
- Molecular formula
- C35H32MgN4O5
- Molecular weight
- 612.97
Names & synonyms
Protochlorophyllide a20369-67-9magnesium;22-(2-carboxyethyl)-16-ethenyl-11-ethyl-3-methoxycarbonyl-12,17,21,26-tetramethyl-7,24,25-triaza-23-azanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,4,6,8(26),9,11,13(25),14,16,18(24),19,21-dodecaen-4-olateMonovinyl protochlorophyllideMagnesium, (dihydrogen 2-vinylpheoporphyrin a5-ato(2))-, methyl esterMagnesium, (dihydrogen 21-carboxy-3,4-didehydro-14-ethyl-4,8,13,18-tetramethyl-20-oxo-9-vinyl-3-phorbinepropionato(2-))-, 21-methyl esterQ3408058Magnesate(1-), (3,4-didehydro-9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-3-phorbinepropanoato(3-)-kappaN23,kappaN24,kappaN25,kappaN26)-, hydrogen, (SP-4-2)-Magnesate(1-), (3,4-didehydro-9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-3-phorbinepropanoato(3-)-N23,N24,N25,N26)-, hydrogen, (SP-4-2)-Protochlorophyllide
Database identifiers
- CAS
20369-67-9- PubChem CID
- 30123
Properties
Computed structural properties
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 1,890
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