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2’-Deoxyisoguanosine

CAT: 0572-TRC-D281570-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D281570-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
106449-56-3
Synonyms
Deoxyisoguanosine; 2'-Deoxy-1,2-dihydro-2-oxoadenosine;
Hazard Statement
Harmful if swallowed.
Purity
>95% (HPLC)
Smiles
NC1=NC(=O)Nc2c1ncn2[C@H]3C[C@H](O)[C@@H](CO)O3
Molecular Formula
C10H13N5O4
Molecular Weight
267.24
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

2'-Deoxyisoguanosine
CAS Number106449-56-3
PubChem CID198689
IUPAC Name6-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-2-one
Molecular FormulaC10H13N5O4
Molecular Weight267.24
XLogP-2
Topological Polar Surface Area133
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count19
Formal Charge0
Complexity514
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(NC(=O)N=C32)N)CO)O
InChI
InChI=1S/C10H13N5O4/c11-8-7-9(14-10(18)13-8)15(3-12-7)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H3,11,13,14,18)/t4-,5+,6+/m0/s1
InChIKey
SWFIFWZFCNRPBN-KVQBGUIXSA-N
Chemical Structure
2D Structure
2D structure of 2'-Deoxyisoguanosine
CAS: 106449-56-3
CID: 198689
Formula: C10H13N5O4
MW: 267.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight267.24
XLogP3-2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass267.09675391
Monoisotopic Mass267.09675391
Topological Polar Surface Area133 Ų
Heavy Atom Count19
Formal Charge0
Complexity514
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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