Home Other Building Blocks 3,5,9-Trioxa-4-phosphaoctacosan-1-aminium,4-hydroxy-N,N,N-trimethyl-10-oxo-7-[(1-oxononadecyl)oxy]-, inner salt,4-oxide, (7R)-

3,5,9-Trioxa-4-phosphaoctacosan-1-aminium,4-hydroxy-N,N,N-trimethyl-10-oxo-7-[(1-oxononadecyl)oxy]-, inner salt,4-oxide, (7R)-

CAS No.:
95416-27-6
Catalog Number:
AG01CP8I
Molecular Formula:
C46H92NO8P
Molecular Weight:
818.1983
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
10mg
≥95%
1 week
United States
$111
- +
25mg
≥95%
1 week
United States
$186
- +
50mg
≥95%
1 week
United States
$301
- +
100mg
≥95%
1 week
United States
$464
- +
Product Description
Catalog Number:
AG01CP8I
Chemical Name:
3,5,9-Trioxa-4-phosphaoctacosan-1-aminium,4-hydroxy-N,N,N-trimethyl-10-oxo-7-[(1-oxononadecyl)oxy]-, inner salt,4-oxide, (7R)-
CAS Number:
95416-27-6
Molecular Formula:
C46H92NO8P
Molecular Weight:
818.1983
MDL Number:
MFCD00673557
IUPAC Name:
[(2R)-2,3-di(nonadecanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate
InChI:
InChI=1S/C46H92NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h44H,6-43H2,1-5H3/t44-/m1/s1
InChI Key:
CJXPNBSAXZBLEC-USYZEHPZSA-N
SMILES:
CCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](OC(=O)CCCCCCCCCCCCCCCCCC)COP(=O)(OCC[N+](C)(C)C)[O-]
Properties
Complexity:
919  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
817.656g/mol
Formal Charge:
0
Heavy Atom Count:
56  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
818.215g/mol
Monoisotopic Mass:
817.656g/mol
Rotatable Bond Count:
46  
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
16.7  
Properties