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84222-50-4 | 2-((2-AMINO-6-HYDROXY-7H-PURIN-7-YL)METHOXY)-1,3-PROPANEDIOL
CAS No: 84222-50-4 Catalog No: AG004OD0 MDL No:
Product Description
Catalog Number:
AG004OD0
Chemical Name:
2-((2-AMINO-6-HYDROXY-7H-PURIN-7-YL)METHOXY)-1,3-PROPANEDIOL
CAS Number:
84222-50-4
Molecular Formula:
C9H13N5O4
Molecular Weight:
255.2306
IUPAC Name:
2-amino-7-(1,3-dihydroxypropan-2-yloxymethyl)-1H-purin-6-one
InChI:
InChI=1S/C9H13N5O4/c10-9-12-7-6(8(17)13-9)14(3-11-7)4-18-5(1-15)2-16/h3,5,15-16H,1-2,4H2,(H3,10,12,13,17)
InChI Key:
NSYYAKAGSCRHJK-UHFFFAOYSA-N
SMILES:
OCC(OCn1cnc2c1c(O)nc(n2)N)CO
UNII:
6R4O2418X1
NSC Number:
377967
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.097g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
255.234g/mol
Monoisotopic Mass:
255.097g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.5
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