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| CAS No.: | 15664-29-6 |
|---|---|
| Name: | Pheophorbide A |
| Molecular Structure: | |
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| 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 |
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- 603-17-8
pheophytin a
- 15664-29-6
pheophorbide-a
| Conditions | Yield |
|---|---|
| In water; trifluoroacetic acid at 0℃; for 0.916667h; | 92% |
- 5594-30-9, 64070-09-3, 138812-88-1
methylpheophorbide a
- 15664-29-6
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; |
- 603-17-8
pheophytin a
- 15664-29-6
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 |
- 53321-11-2, 479-61-8
chlorophyll-a
- 15664-29-6
pheophorbide-a
| Conditions | Yield |
|---|---|
| With hydrogenchloride; water In diethyl ether at 0℃; for 0.5h; |
- 479-61-8, 22309-13-3, 71523-21-2
chlorophyll a
- 15664-29-6
pheophorbide-a
| Conditions | Yield |
|---|---|
| With hydrogenchloride In diethyl ether |
- 15664-29-6
pheophorbide-a
| Conditions | Yield |
|---|---|
| With hydrogenchloride |
- 15664-29-6
pheophorbide-a
| Conditions | Yield |
|---|---|
| With trifluoroacetic acid In water at 0℃; for 1h; Inert atmosphere; Darkness; | 1.3 g |
- 15664-29-6
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 |
- 15664-29-6
pheophorbide-a
| Conditions | Yield |
|---|---|
| With hydrogenchloride; water In diethyl ether for 2h; | Ca. 20 g |
- 15664-29-6
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; |
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Specification
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