200,000+ products from a single source!
sales@angenechem.com
207131-40-6 | 3,5,9-Trioxa-4-phosphapentacosan-1-aminium, 4-hydroxy-N,N,N,12,16,20,24-heptamethyl-10-oxo-7-[(3,7,11,15-tetramethyl-1-oxohexadecyl)oxy]-, inner salt, 4-oxide, (7R)-
CAS No: 207131-40-6 Catalog No: AG002IVH MDL No:
Product Description
Catalog Number:
AG002IVH
Chemical Name:
3,5,9-Trioxa-4-phosphapentacosan-1-aminium, 4-hydroxy-N,N,N,12,16,20,24-heptamethyl-10-oxo-7-[(3,7,11,15-tetramethyl-1-oxohexadecyl)oxy]-, inner salt, 4-oxide, (7R)-
CAS Number:
207131-40-6
Molecular Formula:
C48H96NO8P
Molecular Weight:
846.2515
IUPAC Name:
[(2R)-2,3-bis(3,7,11,15-tetramethylhexadecanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate
InChI:
InChI=1S/C48H96NO8P/c1-38(2)20-14-22-40(5)24-16-26-42(7)28-18-30-44(9)34-47(50)54-36-46(37-56-58(52,53)55-33-32-49(11,12)13)57-48(51)35-45(10)31-19-29-43(8)27-17-25-41(6)23-15-21-39(3)4/h38-46H,14-37H2,1-13H3/t40?,41?,42?,43?,44?,45?,46-/m1/s1
InChI Key:
UKDDQGWMHWQMBI-SOFRWFQSSA-N
SMILES:
CC(CCCC(CC(=O)OC[C@@H](OC(=O)CC(CCCC(CCCC(CCCC(C)C)C)C)C)COP(=O)(OCC[N+](C)(C)C)[O-])C)CCCC(CCCC(C)C)C
Properties
Complexity:
1070
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
845.687g/mol
Formal Charge:
0
Heavy Atom Count:
58
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
846.269g/mol
Monoisotopic Mass:
845.687g/mol
Rotatable Bond Count:
40
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
6
Undefined Bond Stereocenter Count:
0
XLogP3:
15.8
Related Products
© 2019 Angene International Limited. All rights Reserved.