200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 100858-16-0
100858-16-0 | L-Tyrosine, 3-hydroxy-, 2-[(1-oxohexadecyl)oxy]-1-[[(1-oxohexadecyl)oxy]methyl]ethyl ester
CAS No: 100858-16-0 Catalog No: AG00031D MDL No:
Product Description
Catalog Number:
AG00031D
Chemical Name:
L-Tyrosine, 3-hydroxy-, 2-[(1-oxohexadecyl)oxy]-1-[[(1-oxohexadecyl)oxy]methyl]ethyl ester
CAS Number:
100858-16-0
Molecular Formula:
C44H77NO8
Molecular Weight:
748.0841
IUPAC Name:
18-[2-amino-3-(3,4-dihydroxyphenyl)propanoyl]-17,18,19-trihydroxypentatriacontane-16,20-dione
InChI:
InChI=1S/C44H77NO8/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-38(47)42(51)44(53,41(50)36(45)33-35-31-32-37(46)40(49)34-35)43(52)39(48)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31-32,34,36,42-43,46,49,51-53H,3-30,33,45H2,1-2H3
InChI Key:
PUNPEYYZOCUOKR-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCC(=O)OCC(OC(=O)[C@H](Cc1ccc(c(c1)O)O)N)COC(=O)CCCCCCCCCCCCCCC
Properties
Complexity:
896
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
747.565g/mol
Formal Charge:
0
Heavy Atom Count:
53
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
748.099g/mol
Monoisotopic Mass:
747.565g/mol
Rotatable Bond Count:
36
Topological Polar Surface Area:
178A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
12.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.