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CAS No.: | 15664-29-6 |
---|---|
Name: | Pheophorbide A |
Article Data: | 35 |
Molecular Structure: | |
Formula: | C35H36N4O5 |
Molecular Weight: | 592.695 |
Synonyms: | 3-Phorbinepropanoicacid, 9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-,[3S-(3a,4b,21b)]-;3-Phorbinepropionic acid,21-carboxy-14-ethyl-4,8,13,18-tetramethyl-20-oxo-9-vinyl-, 21-methyl ester(8CI);Pheophorbide a (6CI,7CI);2-Deacetyl-2-vinylbacteriopheophorbide;Phaeophorbide a;Pheophorbide a5; |
EINECS: | 239-738-5 |
Density: | 1.282 g/cm3 |
Melting Point: | 191-195 °C |
Boiling Point: | 1018.984 °C at 760 mmHg |
Flash Point: | 570.061 °C |
PSA: | 136.97000 |
LogP: | 3.53890 |
pheophytin a
pheophorbide-a
Conditions | Yield |
---|---|
In water; trifluoroacetic acid at 0℃; for 0.916667h; | 92% |
methylpheophorbide a
pheophorbide-a
Conditions | Yield |
---|---|
With hydrogenchloride In acetone at 20 - 25℃; for 22h; | 80% |
With hydrogenchloride; water In acetone at 20℃; for 24h; | 70% |
Acidic aq. solution; |
pheophytin a
pheophorbide-a
Conditions | Yield |
---|---|
With trifluoroacetic acid In water at 0℃; for 1h; Inert atmosphere; Darkness; | 58% |
With hydrogenchloride | |
With enzyme-substance from heracleum spondylium |
chlorophyll-a
pheophorbide-a
Conditions | Yield |
---|---|
With hydrogenchloride; water In diethyl ether at 0℃; for 0.5h; |
chlorophyll a
pheophorbide-a
Conditions | Yield |
---|---|
With hydrogenchloride In diethyl ether |
pheophorbide-a
Conditions | Yield |
---|---|
With hydrogenchloride |
pheophorbide-a
Conditions | Yield |
---|---|
With trifluoroacetic acid In water at 0℃; for 1h; Inert atmosphere; Darkness; | 1.3 g |
pheophorbide-a
Conditions | Yield |
---|---|
With hydrogenchloride In water; acetone at 25℃; Kinetics; pH-value; | |
With sulfuric acid In acetone at 20℃; Darkness; | |
With sulfuric acid |
pheophorbide-a
Conditions | Yield |
---|---|
With hydrogenchloride; water In diethyl ether for 2h; | Ca. 20 g |
pheophorbide-a
Conditions | Yield |
---|---|
Stage #1: chlorophyll α With sulfuric acid In dichloromethane; water Darkness; Stage #2: With sulfuric acid In methanol | |
With hydrogenchloride In diethyl ether; water at 0 - 5℃; for 0.5h; |
The Pheophorbide A with the cas number 15664-29-6 is also called 3-Phorbinepropanoicacid, 9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-,(3S,4S,21R)-. Its EINECS registry number is 239-738-5. The molecular formula is C35H36N4O5. This chemical belongs to the following product categories: (1)Natural Porphyrins and Derivitives; (2)Porphyrins. It is split product of chlorophyll obtained by saponification of pheophytin.
The properties of the chemical are: (1)ACD/LogP: 3.71; (2)# of Rule of 5 Violations: 1 ; (3)#H bond acceptors: 9; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 7; (6)Polar Surface Area: 138.03Å2; (7)Index of Refraction: 1.63; (8)Molar Refractivity: 164.457 cm3; (9)Molar Volume: 462.172 cm3; (10)Polarizability: 65.196×10-24cm3; (11)Surface Tension: 57.972 dyne/cm; (12)Enthalpy of Vaporization: 155.903 kJ/mol; (13)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)CC[C@@H]6c1nc(cc5nc(cc4nc(cc3nc2c(C(=O)[C@H](C(=O)OC)c12)c3C)C(\CC)=C4\C)c(c5C)\C=C)[C@H]6C
(2)InChI: InChI=1/C35H36N4O5/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22/h8,12-14,17,21,31,36,39H,1,9-11H2,2-7H3,(H,40,41)/b22-12-,23-13-,24-12-,25-14-,26-13-,27-14-,32-30-/t17-,21-,31+/m0/s1
(3)InChIKey: NSFSLUUZQIAOOX-QEWKCGBTBX