200,000+ products from a single source!
sales@angenechem.com
129655-06-7 | Pyrrolidinium, 1-(5-carboxypentyl)-1-[2-[2-[3-(octadecyloxy)-2-(2-pyrimidinyloxy)propoxy]ethoxy]ethyl]-, inner salt
CAS No: 129655-06-7 Catalog No: AG000Z8Y MDL No:
Product Description
Catalog Number:
AG000Z8Y
Chemical Name:
Pyrrolidinium, 1-(5-carboxypentyl)-1-[2-[2-[3-(octadecyloxy)-2-(2-pyrimidinyloxy)propoxy]ethoxy]ethyl]-, inner salt
CAS Number:
129655-06-7
Molecular Formula:
C39H71N3O6
Molecular Weight:
677.9975
IUPAC Name:
6-[1-[2-[2-(3-octadecoxy-2-pyrimidin-2-yloxypropoxy)ethoxy]ethyl]pyrrolidin-1-ium-1-yl]hexanoate
InChI:
InChI=1S/C39H71N3O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-31-46-35-37(48-39-40-25-23-26-41-39)36-47-34-33-45-32-30-42(28-20-21-29-42)27-19-17-18-24-38(43)44/h23,25-26,37H,2-22,24,27-36H2,1H3
InChI Key:
AKLBMELLFAFCPP-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCOCC(Oc1ncccn1)COCCOCC[N+]1(CCCCCC(=O)[O-])CCCC1
NSC Number:
623527
Properties
Complexity:
712
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
677.534g/mol
Formal Charge:
0
Heavy Atom Count:
48
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
678.012g/mol
Monoisotopic Mass:
677.534g/mol
Rotatable Bond Count:
34
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
10.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.