22:0 PC

CAT: 0926-MBA07048-02Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0926-MBA07048-02Size:500 mg

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CAS Number

37070-48-7

MDL Number

MFCD00063529

Smiles

CCCCCCCCCCCCCCCCCCCCCC (=O) OCC (COP (=O) ([O-]) OCC[N+] (C) (C) C) OC (=O) CCCCCCCCCCCCCCCCCCCCC

Molecular Formula

C52H104NO8P

Molecular Weight

902.36 g/mol

Controlled

Chemical Information

PC(22:0/22:0)

CAS Number	37070-48-7
PubChem CID	21308787
IUPAC Name	[(2R)-2,3-di(docosanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate
Molecular Formula	C52H104NO8P
Molecular Weight	902.4
XLogP	20
Topological Polar Surface Area	111
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	52
Heavy Atom Count	62
Formal Charge	0
Complexity	1010

SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C52H104NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h50H,6-49H2,1-5H3/t50-/m1/s1

InChIKey

HRTBOPUWPUXROO-VCZQVZGSSA-N

Chemical Structure

2D Structure

CAS: 37070-48-7

CID: 21308787

Formula: C52H104NO8P

MW: 902.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	902.4
XLogP3	20
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	52
Exact Mass	901.74995627
Monoisotopic Mass	901.74995627
Topological Polar Surface Area	111 Å²
Heavy Atom Count	62
Formal Charge	0
Complexity	1010
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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