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1-Hexanoyl-2-hydroxy-sn-glycero-3-phosphocholine

CAT: 0013-GTR19246601-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19246601-01Size:50 mg
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Description
1-Hexanoyl-2-hydroxy-sn-glycero-3-phosphocholine is a reagent used in biochemical reactions.
CAS Number
58445-96-8
Smiles
CCCCCC (OC[C@@H] (O) COP (OCC[N+] (C) (C) C) ([O-]) =O) =O
Molecular Formula
C14H30NO7P
Molecular Weight
355.36
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-Hexanoyl-sn-glycero-3-phosphocholine

1-hexanoyl-sn-glycero-3-phosphocholine is a 1-O-acyl-sn-glycero-3-phosphocholine in which the acyl group is specified as caproyl (hexanoyl). It is a 1-O-acyl-sn-glycero-3-phosphocholine, a lysophosphatidylcholine 6:0 and a hexanoate ester.

CAS Number58445-96-8
PubChem CID13917464
IUPAC Name[(2R)-3-hexanoyloxy-2-hydroxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Molecular FormulaC14H30NO7P
Molecular Weight355.36
XLogP0.1
Topological Polar Surface Area105
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count14
Heavy Atom Count23
Formal Charge0
Complexity376
SMILES
CCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O
InChI
InChI=1S/C14H30NO7P/c1-5-6-7-8-14(17)20-11-13(16)12-22-23(18,19)21-10-9-15(2,3)4/h13,16H,5-12H2,1-4H3/t13-/m1/s1
InChIKey
WDNDPXJAUNUOFK-CYBMUJFWSA-N
Chemical Structure
2D Structure
2D structure of 1-Hexanoyl-sn-glycero-3-phosphocholine
CAS: 58445-96-8
CID: 13917464
Formula: C14H30NO7P
MW: 355.36
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight355.36
XLogP30.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count14
Exact Mass355.17598929
Monoisotopic Mass355.17598929
Topological Polar Surface Area105 Ų
Heavy Atom Count23
Formal Charge0
Complexity376
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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