L-α-Phosphatidylinositol (liver, bovine) (sodium salt)

Catalog Number	ACM383907333
CAS	383907-33-3
Synonyms	Liver PI
IUPAC Name	Sodium;[(2R)-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy-3-octadecanoyloxypropyl] [(5R)-2,3,4,5,6-pentahydroxycyclohexyl] phosphate
Molecular Weight	909.1
Molecular Formula	C47H82NaO13P
Canonical SMILES	CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OC1C(C(C(C(C1O)O)O)O)O)OC(=O)CCCC=CCC=CCC=CCC=CCCCCC.[Na+]
InChI	InChI=1S/C47H83O13P.Na/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)59-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)37-57-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2;/h11,13,17,19,22,24,28,30,39,42-47,50-54H,3-10,12,14-16,18,20-21,23,25-27,29,31-38H2,1-2H3,(H,55,56);/q;+1/p-1/b13-11-,19-17-,24-22-,30-28-;/t39-,42,43-,44,45,46,47;/m1./s1
InChI Key	NHSOICFDOXKHEC-RLELAUCMSA-M
Purity	99%+
Complexity	1260
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	2
Exact Mass	908.53907395
Heavy Atom Count	62
Hydrogen Bond Acceptor Count	13
Hydrogen Bond Donor Count	5
Isomeric SMILES	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC1C([C@@H](C(C(C1O)O)O)O)O)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC.[Na+]
Monoisotopic Mass	908.53907395
Physical State	Liquid
Rotatable Bond Count	40
Storage Conditions	-20 °C
Topological Polar Surface Area	212 Ų

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L-α-Phosphatidylinositol (liver, bovine) (sodium salt) (383907-33-3)

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