1,3-Oxathiolane-2-carboxylic acid,5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-,(1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester, (2R,5S)-


Chemical Name: 1,3-Oxathiolane-2-carboxylic acid,5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-,(1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester, (2R,5S)-
CAS Number: 147027-10-9
Product Number: AG001EJF(AGN-PC-0PZP2J)
Synonyms:
MDL No:
Molecular Formula: C18H27N3O4S
Molecular Weight: 381.4897

Identification/Properties


Computed Properties
Molecular Weight:
381.491g/mol
XLogP3:
2.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
5
Exact Mass:
381.172g/mol
Monoisotopic Mass:
381.172g/mol
Topological Polar Surface Area:
120A^2
Heavy Atom Count:
26
Formal Charge:
0
Complexity:
622
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
5
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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