Sodium (2S,8R)-2-azaniumyl-8-(heptadecanoyloxy)-5-oxido-5,11-dioxo-4,6,10-trioxa-5lambda~5~-phosphaheptacosan-1-oate

Catalog Number	ACM799268512
CAS	799268-51-2
Synonyms	17:0 PS
IUPAC Name	Sodium;(2S)-2-azaniumyl-3-[[(2R)-2,3-di(heptadecanoyloxy)propoxy]-oxidophosphoryl]oxypropanoate
Molecular Weight	786
Molecular Formula	C40H77NNaO10P
Canonical SMILES	CCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(C(=O)[O-])[NH3+])OC(=O)CCCCCCCCCCCCCCCC.[Na+]
InChI	InChI=1S/C40H78NO10P.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-38(42)48-33-36(34-49-52(46,47)50-35-37(41)40(44)45)51-39(43)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h36-37H,3-35,41H2,1-2H3,(H,44,45)(H,46,47);/q;+1/p-1/t36-,37+;/m1./s1
InChI Key	HNPCQASYRKKJRQ-JBEIVTSCSA-M
Purity	99%+
Complexity	892
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	2
Exact Mass	785.51827893
Heavy Atom Count	53
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	1
Isomeric SMILES	CCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@@H](C(=O)[O-])[NH3+])OC(=O)CCCCCCCCCCCCCCCC.[Na+]
Monoisotopic Mass	785.51827893
Physical State	Powder
Rotatable Bond Count	41
Storage Conditions	-20 °C
Topological Polar Surface Area	179 Ų

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Sodium (2S,8R)-2-azaniumyl-8-(heptadecanoyloxy)-5-oxido-5,11-dioxo-4,6,10-trioxa-5lambda~5~-phosphaheptacosan-1-oate (799268-51-2)

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