Home Other Building Blocks 1,2-DI13-CIS-DOCOSENOYL-SN-GLYCERO-3-PHOSPHOCHOLINE

1,2-DI13-CIS-DOCOSENOYL-SN-GLYCERO-3-PHOSPHOCHOLINE

CAS No.:
51779-95-4
Catalog Number:
AG00DDWU
Molecular Formula:
C52H100NO8P
Molecular Weight:
898.3261
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
50mg
≥98%
1 week
United States
$147
- +
100mg
≥98%
1 week
United States
$201
- +
250mg
>98.0%(T)
1 week
United States
$317
- +
500mg
≥98%
1 week
United States
$598
- +
Product Description
Catalog Number:
AG00DDWU
Chemical Name:
1,2-DI13-CIS-DOCOSENOYL-SN-GLYCERO-3-PHOSPHOCHOLINE
CAS Number:
51779-95-4
Molecular Formula:
C52H100NO8P
Molecular Weight:
898.3261
MDL Number:
MFCD00674315
IUPAC Name:
[(2R)-2,3-bis[[(Z)-docos-13-enoyl]oxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate
InChI:
InChI=1S/C52H100NO8P/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/h20-23,50H,6-19,24-49H2,1-5H3/b22-20-,23-21-/t50-/m1/s1
InChI Key:
SDEURMLKLAEUAY-JFSPZUDSSA-N
SMILES:
CCCCCCCC/C=C\CCCCCCCCCCCC(=O)OC[C@@H](OC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)COP(=O)(OCC[N+](C)(C)C)[O-]
UNII:
1Z951826B6
Properties
Complexity:
1100  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
2  
Exact Mass:
897.719g/mol
Formal Charge:
0
Heavy Atom Count:
62  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
898.345g/mol
Monoisotopic Mass:
897.719g/mol
Rotatable Bond Count:
50  
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
18.1  
Properties