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14:1 (Δ9-Trans) PC

CAT: 0804-HY-W019854Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-W019854Size:1 Each
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Description
14:1 (Δ9-Trans) PC is a kind of biochemical reagent.
CAS Number
76733-52-3
UNSPSC
12352200
Hazard Statement
H302-H315-H319-H335
Target
Biochemical Assay Reagents
Type
Biochemical Assay Reagents
Related Pathways
Others
Assay Protocol
https://www.medchemexpress.com/14-1-9-trans-pc.html
Smiles
CCCC/C=C/CCCCCCCC(O[C@H](COC(CCCCCCC/C=C/CCCC)=O)COP(OCC[N+](C)(C)C)([O-])=O)=O
Molecular Formula
C36H68NO8P
Molecular Weight
673.90
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
Shipping Conditions
Room temperature
Scientific Category
Biochemical Assay Reagents
Clinical Information
No Development Reported

Chemical Information

1,2-di-(9E-tetradecenoyl)-sn-glycero-3-phosphocholine
CAS Number76733-52-3
PubChem CID18684041
IUPAC Name[(2R)-2,3-bis[[(E)-tetradec-9-enoyl]oxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate
Molecular FormulaC36H68NO8P
Molecular Weight673.9
XLogP9.4
Topological Polar Surface Area111
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count34
Heavy Atom Count46
Formal Charge0
Complexity847
SMILES
CCCC/C=C/CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C/CCCC
InChI
InChI=1S/C36H68NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-35(38)42-32-34(33-44-46(40,41)43-31-30-37(3,4)5)45-36(39)29-27-25-23-21-19-17-15-13-11-9-7-2/h12-15,34H,6-11,16-33H2,1-5H3/b14-12+,15-13+/t34-/m1/s1
InChIKey
AVCZHZMYOZARRJ-VFHCTZGBSA-N
Chemical Structure
2D Structure
2D structure of 1,2-di-(9E-tetradecenoyl)-sn-glycero-3-phosphocholine
CAS: 76733-52-3
CID: 18684041
Formula: C36H68NO8P
MW: 673.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight673.9
XLogP39.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count34
Exact Mass673.46825513
Monoisotopic Mass673.46825513
Topological Polar Surface Area111 Ų
Heavy Atom Count46
Formal Charge0
Complexity847
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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