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141363-98-6 | Inosine, 2',3'-dideoxy-, 5'-pentanoate (9CI)
CAS No: 141363-98-6 Catalog No: AG001GBE MDL No:
Product Description
Catalog Number:
AG001GBE
Chemical Name:
Inosine, 2',3'-dideoxy-, 5'-pentanoate (9CI)
CAS Number:
141363-98-6
Molecular Formula:
C15H20N4O4
Molecular Weight:
320.3437
IUPAC Name:
9-[(2R,5S)-5-(1-hydroxy-2-oxohexyl)oxolan-2-yl]-1H-purin-6-one
InChI:
InChI=1S/C15H20N4O4/c1-2-3-4-9(20)13(21)10-5-6-11(23-10)19-8-18-12-14(19)16-7-17-15(12)22/h7-8,10-11,13,21H,2-6H2,1H3,(H,16,17,22)/t10-,11+,13?/m0/s1
InChI Key:
AWWVZVGYDNVKOT-VUDPYIQVSA-N
SMILES:
CCCCC(=O)OC[C@@H]1CC[C@@H](O1)n1cnc2c1ncnc2O
Properties
Complexity:
498
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
320.148g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
320.349g/mol
Monoisotopic Mass:
320.148g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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