Basic information
- CAS
479-61-8- Standard SMILES
C=CC1=C(C)C2=NC1=CC1=NC(=Cc3[n-]c4c(c3C)=C([O-])[C@H](C(=O)OC)C=4C3=NC(=C2)[C@@H](C)[C@@H]3CCC(=O)OC/C=C(\C)CCCC(C)CCCC(C)CCCC(C)C)C(CC)=C1C.[Mg+2]- InChIKey
ATNHDLDRLWWWCB-WJQLOWBJSA-M- Molecular formula
- C55H72MgN4O5
- Average molar mass
- 893.5 g/mol
- Monoisotopic mass
- 892.5353131
Overview
See also: Npc214637 (preferred).
Names & identifiers
- Preferred name
- Chlorophyll,paste
- IUPAC
- magnesium (3R,21S,22S)-16-ethenyl-11-ethyl-3-methoxycarbonyl-12,17,21,26-tetramethyl-22-[3-oxo-3-[(E)-3,7,11,15-tetramethylhexadec-2-enoxy]propyl]-23,24,25-triaza-7-azanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),4,8(26),9,11,13(25),14,16,18(24),19-undecaen-4-olate
- English name
- Chlorophyll A
- Molecular formula
- C55H72MgN4O5
- Molecular weight
- 893.49
Names & synonyms
Chlorophyll,pastemagnesium methyl ethyl-tetramethyl-oxo-[3-oxo-3-[(E)-3,7,11,15-tetramethylhexadec-2-enoxy]propyl]-vinyl-[?]carboxylateC05306CholrophyllCHLOROPHYLL AphotosynthesisChlorophyl pasteCONTAMINON(R) CLALPHA-CHLOROPHYLPaste chlorophyllCHLOROPHYLL A(SH)
Database identifiers
- CAS
479-61-8- PubChem CID
- 6477652
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
- 2,300
Physicochemical properties
- Melting point
- 117 · 117-120°
- alpha
- 20 · D20 -262° (acetone)
- storage temp.
- -20 °C · -20°C
- solubility
- 0.1 mg/10 · diethyl ether: soluble0.1mg/10 mL
- form
- powder
- color
- Green to Black Semi-Solid
- biological source
- spinach
- ε(extinction coefficient)
- 11.1 · 11.1-12.1 × 104 at 428-430nm in diethyl ether8.3-9.4 × 104 at 660-662nm in diethyl ether
- ex/em
- 655 nm; · λex 655 nm; λem 667 nm
- Merck
- 13 · 13,2174
- BRN
- 3586237 · 3586237
- Stability
- Stable, but may discolour upon exposure to light. Incompatible with strong oxidizing agents. May be air sensitive.
- Major Application
- cleaning productscosmeticsfood and beveragespersonal care
- InChIKey
- ATNHDLDRLWWWCB-AENOIHSZSA-M
- SMILES
- CCc1c(C)c2cc3c(C=C)c(C)c4cc5nc([C@@H](CCC(=O)OC\C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@@H]5C)c6[C@@H](C(=O)OC)C(=O)c7c(C)c(cc1n2)n([Mg]n34)c67
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- F
- 8-10-23
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- FW6420000
- hs_code
- 29339900
- Signal word
- Danger
- Symbol(GHS)
- GHS08
- safety_code
- 22-24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H304
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
DescriptionChlorophyll is the green pigment in plants that allows them to create energy from light – to photosynthesize. Chlorophyll A and B are two major types of chlorophyll found in plants and green algae. Both are involved in the process photosynthesis. Both chlorophyll A and B are found in chloroplasts, associated with integral membrane proteins in the thylakoid membrane. The main difference between chlorophyll A and B is their role in photosynthesis chlorophyll A is the principal pigment involved in the photosynthesis whereas chlorophyll B is the accessory pigment, collecting the energy in order to pass into chlorophyll A. In chlorophyll A, the most effectively absorbing wavelengths of the spectrum are 429 nm and 659 nm, which are responsible for violet-blue and orange-red colors, respectively.
OccurrenceChlorophyll A is found in all plants, algae and cyanobacteria.
UsesChlorophyll A is a photosynthetic pigment that is essential for photosynthesis of eukaryotes and cyanobacteria, acting as a primary donor in the electron transport chain. Dyes and metabolites.
General DescriptionChlorophyll a is present as a key pigment in organisms with oxygenic photosynthesis. It functions as an antenna pigment in both reaction centers I and II.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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