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130683-75-9 | Thymidine, 3'-azido-3'-deoxy-, 5'-octadecanoate
CAS No: 130683-75-9 Catalog No: AG000UTL MDL No:
Product Description
Catalog Number:
AG000UTL
Chemical Name:
Thymidine, 3'-azido-3'-deoxy-, 5'-octadecanoate
CAS Number:
130683-75-9
Molecular Formula:
C28H47N5O5
Molecular Weight:
533.7033
IUPAC Name:
[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl octadecanoate
InChI:
InChI=1S/C28H47N5O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26(34)37-21-24-23(31-32-29)19-25(38-24)33-20-22(2)27(35)30-28(33)36/h20,23-25H,3-19,21H2,1-2H3,(H,30,35,36)/t23-,24+,25+/m0/s1
InChI Key:
OOPZYMMBWUNZQW-ISJGIBHGSA-N
SMILES:
CCCCCCCCCCCCCCCCCC(=O)OC[C@H]1O[C@H](C[C@@H]1N=[N+]=[N-])n1cc(C)c(=O)[nH]c1=O
Properties
Complexity:
827
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
533.358g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
533.714g/mol
Monoisotopic Mass:
533.358g/mol
Rotatable Bond Count:
21
Topological Polar Surface Area:
99.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9
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