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Home > Encyclopedia > Pheophytin a

Pheophytin a

Pheophytin a structure

Pheophytin a 

structure
  • CAS No:

    603-17-8

  • Formula:

    C55H74N4O5

  • Chemical Name:

    Pheophytin a

  • Synonyms:

    3-Phorbinepropanoic acid,9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-,(2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecen-1-yl ester,(3S,4S,21R)-;Pheophytin a;3-Phorbinepropionic acid,21-carboxy-14-ethyl-4,8,13,18-tetramethyl-20-oxo-9-vinyl-,21-methyl 3-phytyl ester,(E)-;3-Phorbinepropanoic acid,9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-,3,7,11,15-tetramethyl-2-hexadecenyl ester,[3S-[3α(2E,7S*,11S*),4β,21β]]-;3-Phorbinepropanoic acid,9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-,(2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecenyl ester,(3S,4S,21R)-;Phaeophytin a;Pheophytin a5;Chlorophyllic acid a;100759-86-2;15113-35-6;28553-18-6;37231-51-9;37281-15-5;37317-89-8;52118-63-5;178157-11-4

Pheophytin a Basic Attributes

871.20000

871.20

210-031-3

Characteristics

125.97000

10.38290

1.094±0.06 g/cm3(Predicted)

Drug Information

(3S-(3alpha(2E,7S*,11S*),4beta,21alpha))-isomer of pheophytin a

Pheophytin a Use and Manufacturing

3-Phorbinepropanoic acid, 9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-, (2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecen-1-yl ester, (3S,4S,21R)-: INACTIVE

Computed Properties

Molecular Weight:871.2
XLogP3:11.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:22
Exact Mass:870.56592147
Monoisotopic Mass:870.56592147
Topological Polar Surface Area:122
Heavy Atom Count:64
Complexity:2300
Undefined Atom Stereocenter Count:5
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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