200,000+ products from a single source!
sales@angenechem.com
7142-98-5 | 2-{[2-{[(6-aminohexanoyl)oxy]methyl}-2-(hydroxymethyl)butoxy]carbonyl}cyclohexanecarboxylic acid
CAS No: 7142-98-5 Catalog No: AG005ILF MDL No:
Product Description
Catalog Number:
AG005ILF
Chemical Name:
2-{[2-{[(6-aminohexanoyl)oxy]methyl}-2-(hydroxymethyl)butoxy]carbonyl}cyclohexanecarboxylic acid
CAS Number:
7142-98-5
Molecular Formula:
C20H35NO7
Molecular Weight:
401.4944
IUPAC Name:
2-[2-(6-aminohexanoyloxymethyl)-2-(hydroxymethyl)butoxy]carbonylcyclohexane-1-carboxylic acid
InChI:
InChI=1S/C20H35NO7/c1-2-20(12-22,13-27-17(23)10-4-3-7-11-21)14-28-19(26)16-9-6-5-8-15(16)18(24)25/h15-16,22H,2-14,21H2,1H3,(H,24,25)
InChI Key:
CPEPBVDDMUAZAA-UHFFFAOYSA-N
SMILES:
NCCCCCC(=O)OCC(COC(=O)C1CCCCC1C(=O)O)(CO)CC
EC Number:
273-903-2
Properties
Complexity:
511
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
401.241g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
401.5g/mol
Monoisotopic Mass:
401.241g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
136A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.