Home Aminos 6H-Purin-6-one, 2-amino-1,9-dihydro-9-[(2-hydroxyethoxy)methyl]-, sodium salt, hydrate (1:1:2)

6H-Purin-6-one, 2-amino-1,9-dihydro-9-[(2-hydroxyethoxy)methyl]-, sodium salt, hydrate (1:1:2)

CAS No.:
261506-45-0
Catalog Number:
AG002RVK
Molecular Formula:
C8H15N5NaO5
Molecular Weight:
284.2250
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Product Description
Catalog Number:
AG002RVK
Chemical Name:
6H-Purin-6-one, 2-amino-1,9-dihydro-9-[(2-hydroxyethoxy)methyl]-, sodium salt, hydrate (1:1:2)
CAS Number:
261506-45-0
Molecular Formula:
C8H15N5NaO5
Molecular Weight:
284.2250
MDL Number:
MFCD28902495
IUPAC Name:
sodium;2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]ethanolate;dihydrate
InChI:
InChI=1S/C8H10N5O3.Na.2H2O/c9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14;;;/h3H,1-2,4H2,(H3,9,11,12,15);;2*1H2/q-1;+1;;
InChI Key:
QLLUCCIBZOGWCG-UHFFFAOYSA-N
SMILES:
OCCOCn1cnc2c1nc(N)[nH]c2=O.O.O.[Na]
Properties
Complexity:
314  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.089g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
283.22g/mol
Monoisotopic Mass:
283.089g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties