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2-Deoxyguanosine Monohydrate
Also known as:
Molecular Formula
C10H15N5O5
Molecular Weight
285.26  g/mol
InChI Key
LZSCQUCOIRGCEJ-FPKZOZHISA-N

1 2D Structure

2-Deoxyguanosine Monohydrate

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one;hydrate
2.1.2 InChI
InChI=1S/C10H13N5O4.H2O/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6;/h3-6,16-17H,1-2H2,(H3,11,13,14,18);1H2/t4-,5+,6+;/m0./s1
2.1.3 InChI Key
LZSCQUCOIRGCEJ-FPKZOZHISA-N
2.1.4 Canonical SMILES
C1C(C(OC1N2C=NC3=C2NC(=NC3=O)N)CO)O.O
2.1.5 Isomeric SMILES
C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2NC(=NC3=O)N)CO)O.O
2.2 Create Date
2007-07-16
3 Chemical and Physical Properties
Molecular Weight 285.26 g/mol
Molecular Formula C10H15N5O5
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass285.10731860 g/mol
Monoisotopic Mass285.10731860 g/mol
Topological Polar Surface Area136 A^2
Heavy Atom Count20
Formal Charge0
Complexity417
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
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