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141363-96-4 | Inosine, 2',3'-dideoxy-, 5'-butanoate (9CI)
CAS No: 141363-96-4 Catalog No: AG001GBF MDL No:
Product Description
Catalog Number:
AG001GBF
Chemical Name:
Inosine, 2',3'-dideoxy-, 5'-butanoate (9CI)
CAS Number:
141363-96-4
Molecular Formula:
C14H18N4O4
Molecular Weight:
306.3171
IUPAC Name:
9-[(2R,5S)-5-(1-hydroxy-2-oxopentyl)oxolan-2-yl]-1H-purin-6-one
InChI:
InChI=1S/C14H18N4O4/c1-2-3-8(19)12(20)9-4-5-10(22-9)18-7-17-11-13(18)15-6-16-14(11)21/h6-7,9-10,12,20H,2-5H2,1H3,(H,15,16,21)/t9-,10+,12?/m0/s1
InChI Key:
JCQVRDNFWKKFBG-YPBKCWQDSA-N
SMILES:
CCCC(=O)OC[C@@H]1CC[C@@H](O1)n1cnc2c1ncnc2O
Properties
Complexity:
484
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
306.133g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
306.322g/mol
Monoisotopic Mass:
306.133g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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