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Pheophorbide a

Pheophorbide a structure

CAS No:
15664-29-6
Formula:
C35H36N4O5
Chemical Name:
Pheophorbide a
Synonyms:
3-Phorbinepropanoic acid,9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-,(3S,4S,21R)-;Pheophorbide a;3-Phorbinepropionic acid,21-carboxy-14-ethyl-4,8,13,18-tetramethyl-20-oxo-9-vinyl-,21-methyl ester;3-Phorbinepropanoic acid,9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-,[3S-(3α,4β,21β)]-;(3S,4S,21R)-9-Ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-3-phorbinepropanoic acid;Pheophorbide a5;2-Deacetyl-2-vinylbacteriopheophorbide;Phaeophorbide a;28979-78-4;29702-69-0
Categories:
Food Additives > Gum Base Agent

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Description

Pheophorbide a is a pheophorbide. It is a conjugate acid of a pheophorbide a(2-).

Pheophorbide a Basic Attributes

Molecular Weight：

592.7 g/mol

Exact Mass：

592.68

EC Number：

239-738-5

UNII：

IA2WNI2HO2

NSC Number：

75783

Characteristics

PSA：

133 Å²

XLogP3：

3.53890

Melting Point：

191-195 °C

Drug Information

MeSH：

Drugs used to potentiate the effectiveness of radiation therapy in destroying unwanted cells. (See all compounds classified as Radiation-Sensitizing Agents.)

MeSH Entry Terms：

2-deacetyl-2-vinylbacteriopheophorbide

Pheophorbide a Use and Manufacturing

Manufacturing Info：

3-Phorbinepropanoic acid, 9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-, (3S,4S,21R)-: INACTIVE

Computed Properties

Molecular Weight:592.7
XLogP3:2.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:7
Exact Mass:592.26857026
Monoisotopic Mass:592.26857026
Topological Polar Surface Area:133
Heavy Atom Count:44
Complexity:1810
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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