KOdiA-PC

CAT: 0013-GTR19192312-02Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19192312-02Size:1 mg

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Description

KOdiA-PC

CAS Number

439904-33-3

Field of Research

Signal Transduction

Smiles

[C@H] (OC (CCCC (/C=C/C (O) =O) =O) =O) (COP (OCC[N+] (C) (C) C) (=O) [O-]) COC (CCCCCCCCCCCCCCC) =O

Molecular Formula

C32H58NO11P

Molecular Weight

663.78

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

KOdiA-PC

PKODiA-PC is a 1,2-diacyl-sn-glycero-3-phosphocholine.

CAS Number	439904-33-3
PubChem CID	91885957
IUPAC Name	[(2R)-2-[(E)-7-carboxy-5-oxohept-6-enoyl]oxy-3-hexadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Molecular Formula	C32H58NO11P
Molecular Weight	663.8
XLogP	5.8
Topological Polar Surface Area	166
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	32
Heavy Atom Count	45
Formal Charge	0
Complexity	909

SMILES

CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCC(=O)/C=C/C(=O)O

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

InChIKey

PEZXEQJZQAVYCZ-NLMPBQEBSA-N

Chemical Structure

2D Structure

CAS: 439904-33-3

CID: 91885957

Formula: C32H58NO11P

MW: 663.8

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	663.8
XLogP3	5.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	32
Exact Mass	663.37474866
Monoisotopic Mass	663.37474866
Topological Polar Surface Area	166 Å²
Heavy Atom Count	45
Formal Charge	0
Complexity	909
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Chemical Information

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