6-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-2-one;hydrate


Chemical Name: 6-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-2-one;hydrate
CAS Number: 359436-55-8
Product Number: AG007D95(AGN-PC-0JEKS9)
Synonyms:
MDL No:
Molecular Formula: C10H15N5O6
Molecular Weight: 301.2560

Identification/Properties


Computed Properties
Molecular Weight:
301.259g/mol
Hydrogen Bond Donor Count:
6
Hydrogen Bond Acceptor Count:
8
Rotatable Bond Count:
2
Exact Mass:
301.102g/mol
Monoisotopic Mass:
301.102g/mol
Topological Polar Surface Area:
154A^2
Heavy Atom Count:
21
Formal Charge:
0
Complexity:
544
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
2
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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