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| CAS No.: | 71065-87-7 |
|---|---|
| Name: | L-BETA,GAMMA-DIPALMITOYL-ALPHA-PHOSPHATIDIC ACID DISODIUM SALT |
| Molecular Structure: | |
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| Formula: | C35H67Na2O8P |
| Molecular Weight: | 692.865 |
| Synonyms: | Hexadecanoicacid, (1R)-1-[(phosphonooxy)methyl]-1,2-ethanediyl ester, disodium salt (9CI);Hexadecanoic acid, 1-[(phosphonooxy)methyl]-1,2-ethanediyl ester, disodiumsalt, (R)-;1,2-Dipalmitoyl-sn-glycero-3-phosphatidic acid disodium salt;Disodium dipalmitoyl-L-a-phosphatidic acid; |
| EINECS: | 275-158-9 |
| Boiling Point: | 706.9 °C at 760 mmHg |
| Flash Point: | 381.3 °C |
| PSA: | 134.83000 |
| LogP: | 11.38970 |
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- Total:18 Page 1 of 1 1
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Specification
This chemical is called Hexadecanoic acid, 1,1'-[1-[(phosphonooxy)methyl]-1,2-ethanediyl] ester, sodium salt (1:2), and its IUPAC name is disodium [(2R)-2,3-di(hexadecanoyloxy)propyl] phosphate. With the molecular formula of C35H67Na2O8P, its molecular weight is 692.85. The CAS registry number of this chemical is 71065-87-7. Additionally, it should be stored at 2-8°C.
Other characteristics of the Hexadecanoic acid, 1,1'-[1-[(phosphonooxy)methyl]-1,2-ethanediyl] ester, sodium salt (1:2) can be summarised as followings: (1)ACD/LogP: 13.67; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 10.35; (4)ACD/LogD (pH 7.4): 9.43; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 822436.69; (7)ACD/KOC (pH 5.5): 309437.5; (8)ACD/KOC (pH 7.4): 37057.07; (9)#H bond acceptors: 8; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 36; (12)Polar Surface Area: 129.17 Å2 ; (13)Flash Point: 381.3 °C; (14)Enthalpy of Vaporization: 112.64 kJ/mol; (15)Boiling Point: 706.9 °C at 760 mmHg; (16)Vapour Pressure: 7.15E-22 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: [Na+].[Na+].[O-]P(=O)([O-])OC[C@H](OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC
2.InChI: InChI=1/C35H69O8P.2Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(36)41-31-33(32-42-44(38,39)40)43-35(37)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;;/h33H,3-32H2,1-2H3,(H2,38,39,40);;/q;2*+1/p-2/t33-;;/m1../s1
3.InChIKey: NFRFUGBXJTXTMZ-PWEFHPNKBU