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75128-73-3 | 9-[(2-Acetoxyethoxy)methyl]-N2-acetylguanine
CAS No: 75128-73-3 Catalog No: AG0036MU MDL No:MFCD00267706
Product Description
Catalog Number:
AG0036MU
Chemical Name:
9-[(2-Acetoxyethoxy)methyl]-N2-acetylguanine
CAS Number:
75128-73-3
Molecular Formula:
C12H15N5O5
Molecular Weight:
309.2780
MDL Number:
MFCD00267706
IUPAC Name:
2-[(2-acetamido-6-oxo-1H-purin-9-yl)methoxy]ethyl acetate
InChI:
InChI=1S/C12H15N5O5/c1-7(18)14-12-15-10-9(11(20)16-12)13-5-17(10)6-21-3-4-22-8(2)19/h5H,3-4,6H2,1-2H3,(H2,14,15,16,18,20)
InChI Key:
VBHLKZHSCMQLTI-UHFFFAOYSA-N
SMILES:
CC(=O)OCCOCn1cnc2c1nc(NC(=O)C)[nH]c2=O
EC Number:
278-077-7
UNII:
U32280404H
Properties
Complexity:
494
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.107g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
309.282g/mol
Monoisotopic Mass:
309.107g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2
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