Protochlorophyll
Basic information
- CAS
14751-08-7- 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)OC/C=C(\C)CCCC(C)CCCC(C)CCCC(C)C)=C2)C4=N3)C(CC)=C1C.[Mg+2]- InChIKey
DASFNRASQHZIIW-XOTKKQSBSA-M- Molecular formula
- C55H70MgN4O5
- Average molar mass
- 891.5 g/mol
- Monoisotopic mass
- 890.519663
Overview
See also: Protochlorophyll a (annotation moved to).
Names & identifiers
- Preferred name
- Protochlorophyll
- IUPAC
- magnesium 16-ethenyl-11-ethyl-3-methoxycarbonyl-12,17,21,26-tetramethyl-22-[3-oxo-3-[(E)-3,7,11,15-tetramethylhexadec-2-enoxy]propyl]-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
Names & synonyms
ProtochlorophyllProtochlorophyll aProtochlorophylls14751-08-7SCHEMBL578892SCHEMBL29486982magnesium;16-ethenyl-11-ethyl-3-methoxycarbonyl-12,17,21,26-tetramethyl-22-[3-oxo-3-[(E)-3,7,11,15-tetramethylhexadec-2-enoxy]propyl]-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-olateMagnesium, (3,7,11,15-tetramethyl-2-hexadecenyl 3,4-didehydro-9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-3-phorbinepropanoato(2-)-N23,N24,N25,N26)-, (SP-4-2-(7R-(3(2E,7R*,11R*))))-
Database identifiers
- CAS
14751-08-7- PubChem CID
- 6440948
Properties
Computed structural properties
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 22
- Heavy atoms
- 65
- Formal charge
- 0
- Complexity
- 2,380
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Related reactions
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Compound notes
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