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16:0 Hexynoyl pe

CAT: 0926-KQD67040Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0926-KQD67040Size:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2260670-40-2
Smiles
[H][C@@] (COP ([O-]) (OCCN ([H]) C (CCCC#C) =O) =O) (OC (CCCCCCCCCCCCCCC) =O) COC (CCCCCCCCCCCCCCC) =O.[NH4+]
Molecular Formula
C43H83N2O9P
Molecular Weight
803.1 g/mol
Controlled
No

Chemical Information

16:0 hexynoyl PE
CAS Number2260670-40-2
PubChem CID136212764
IUPAC Nameazanium [(2R)-2,3-di(hexadecanoyloxy)propyl] 2-(hex-5-ynoylamino)ethyl phosphate
Molecular FormulaC43H83N2O9P
Molecular Weight803.1
Topological Polar Surface Area141
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count43
Heavy Atom Count55
Formal Charge0
Complexity990
SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)CCCC#C)OC(=O)CCCCCCCCCCCCCCC.[NH4+]
InChI
InChI=1S/C43H80NO9P.H3N/c1-4-7-10-12-14-16-18-20-22-24-26-28-31-34-42(46)50-38-40(39-52-54(48,49)51-37-36-44-41(45)33-30-9-6-3)53-43(47)35-32-29-27-25-23-21-19-17-15-13-11-8-5-2;/h3,40H,4-5,7-39H2,1-2H3,(H,44,45)(H,48,49);1H3/t40-;/m1./s1
InChIKey
YTZUQHQKTCVMFU-YPMTVOEDSA-N
Chemical Structure
2D Structure
2D structure of 16:0 hexynoyl PE
CAS: 2260670-40-2
CID: 136212764
Formula: C43H83N2O9P
MW: 803.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight803.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count43
Exact Mass802.58361923
Monoisotopic Mass802.58361923
Topological Polar Surface Area141 Ų
Heavy Atom Count55
Formal Charge0
Complexity990
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
GTR19268813-0116:0 Hexynoyl PE ammonium
HY-N1593916:0 Hexynoyl PE (ammonium)
HY-16416416:0-16:0 (Acrylate) PC
MBS3920319Plasm 16:0/16:0-PC
HY-146914S16:0-18:0-16:0 TG-d5
HY-N1594818:0-16:0 (16-Azido) PC
HY-N1593016:0 Propargyl SM (d18:1-16:0)
GTR19268487-0116:0 Azidoethyl SM (d18:1/16:0)
HY-163165S16:0-19:2-16:0 TG-d5
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