200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 79806-85-2
79806-85-2 | Dodecanoic acid,1-[(phosphonooxy)methyl]-1,2-ethanediyl ester
CAS No: 79806-85-2 Catalog No: AG00505M MDL No:
Product Description
Catalog Number:
AG00505M
Chemical Name:
Dodecanoic acid,1-[(phosphonooxy)methyl]-1,2-ethanediyl ester
CAS Number:
79806-85-2
Molecular Formula:
C27H53O8P
Molecular Weight:
536.6787
IUPAC Name:
(2-dodecanoyloxy-3-phosphonooxypropyl) dodecanoate
InChI:
InChI=1S/C27H53O8P/c1-3-5-7-9-11-13-15-17-19-21-26(28)33-23-25(24-34-36(30,31)32)35-27(29)22-20-18-16-14-12-10-8-6-4-2/h25H,3-24H2,1-2H3,(H2,30,31,32)
InChI Key:
OKLASJZQBDJAPH-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCCCCCC)COP(=O)(O)O
Properties
Complexity:
578
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
536.348g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
536.687g/mol
Monoisotopic Mass:
536.348g/mol
Rotatable Bond Count:
28
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
8.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.