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210829-32-6 | Cytidine, 2'-deoxy-2',2'-difluoro-N-[(9E)-1-oxo-9-octadecen-1-yl]-
CAS No: 210829-32-6 Catalog No: AG002L05 MDL No:
Product Description
Catalog Number:
AG002L05
Chemical Name:
Cytidine, 2'-deoxy-2',2'-difluoro-N-[(9E)-1-oxo-9-octadecen-1-yl]-
CAS Number:
210829-32-6
Molecular Formula:
C27H43F2N3O5
Molecular Weight:
527.6442
IUPAC Name:
N-[1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]octadec-9-enamide
InChI:
InChI=1S/C27H43F2N3O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(34)30-22-18-19-32(26(36)31-22)25-27(28,29)24(35)21(20-33)37-25/h9-10,18-19,21,24-25,33,35H,2-8,11-17,20H2,1H3,(H,30,31,34,36)/t21-,24-,25-/m1/s1
InChI Key:
JYJZIVPBAHOHBS-NQHRYMMQSA-N
SMILES:
CCCCCCCC/C=C/CCCCCCCC(=O)Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@H](C1(F)F)O)CO
Properties
Complexity:
803
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
527.317g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
527.654g/mol
Monoisotopic Mass:
527.317g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
6.3
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