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Home > Other Building Blocks > 189241-16-5
189241-16-5 | Guanosine, 2'-deoxy-N-(3-oxo-1-propen-1-yl)-
CAS No: 189241-16-5 Catalog No: AG002I4K MDL No:
Product Description
Catalog Number:
AG002I4K
Chemical Name:
Guanosine, 2'-deoxy-N-(3-oxo-1-propen-1-yl)-
CAS Number:
189241-16-5
Molecular Formula:
C13H15N5O5
Molecular Weight:
321.2887
IUPAC Name:
3-[[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-1H-purin-2-yl]amino]prop-2-enal
InChI:
InChI=1S/C13H15N5O5/c19-3-1-2-14-13-16-11-10(12(22)17-13)15-6-18(11)9-4-7(21)8(5-20)23-9/h1-3,6-9,20-21H,4-5H2,(H2,14,16,17,22)/t7-,8+,9+/m0/s1
InChI Key:
HVRUDNSYMIMKBG-DJLDLDEBSA-N
SMILES:
O=CC=CNc1[nH]c(=O)c2c(n1)n(cn2)[C@H]1C[C@@H]([C@H](O1)CO)O
Properties
Complexity:
539
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
321.107g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
321.293g/mol
Monoisotopic Mass:
321.107g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
-0.4
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