AG00DAAP

Name: KOdiA-PC
Brand: Angene Chemical
SKU: AG00DAAP

439904-33-3 | KOdiA-PC

AG00DAAP

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CAS Number	439904-33-3
Catalog Number	AG00DAAP(AGN-PC-0LPKJ8)
Chemical Name	KOdiA-PC
IUPAC Name	[(2R)-2-[(E)-7-carboxy-5-oxohept-6-enoyl]oxy-3-hexadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
InChI	InChI=1S/C32H58NO11P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20-31(37)41-26-29(27-43-45(39,40)42-25-24-33(2,3)4)44-32(38)21-18-19-28(34)22-23-30(35)36/h22-23,29H,5-21,24-27H2,1-4H3,(H-,35,36,39,40)/b23-22+/t29-/m1/s1
InChI Key	PEZXEQJZQAVYCZ-NLMPBQEBSA-N
MDL Number	MFCD12912356
Molecular Formula	C32H58NO11P
Molecular Weight	663.7768
SMILES	O=P([O-])(OCC[N+](C)(C)C)OC[C@H](OC(CCCC(/C=C/C(O)=O)=O)=O)COC(CCCCCCCCCCCCCCC)=O
Synonyms	1-palmitoyl-2-(5-keto-6-octenedioyl)phosphatidylcholine, KOdiA-PC, KOdiA-PC, 439904-33-3, PKODiA-PC, C32H58NO11P, HMS3649G21, 1106AH, LMGP20010013, 1-(Palmitoyl)-2-(5-keto-6-octene-dioyl)phosphatidylcholine, 1-hexadecanoyl-2-(5-oxo-7-carboxy-6E-heptenoyl)-sn-glycero-3-phosphocholine,

Complexity	909
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	1
Exact Mass	663.375g/mol
Formal Charge	0
Heavy Atom Count	45
Hydrogen Bond Acceptor Count	11
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	663.786g/mol
Monoisotopic Mass	663.375g/mol
Rotatable Bond Count	32
Topological Polar Surface Area	166A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.8

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited