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2'-Deoxyadenosine Monohydrate

CAT: 1596-AR-A04645-02Size: 100 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-A04645-02Size:100 Units
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CAS Number
16373-93-6
Synonyms
Deoxyadenosine monohydrate
Molecular Formula
C10H13N5O3.H2O
Molecular Weight
269.26
API Name
Adenosine

Chemical Information

2'-Deoxyadenosine monohydrate

See also: Deoxyadenosine (annotation moved to); Adenine Deoxyribonucleoside (annotation moved to).

CAS Number16373-93-6
PubChem CID9549172
IUPAC Name(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol;hydrate
Molecular FormulaC10H15N5O4
Molecular Weight269.26
Topological Polar Surface Area120
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Heavy Atom Count19
Formal Charge0
Complexity307
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N)CO)O.O
InChI
InChI=1S/C10H13N5O3.H2O/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(17)6(2-16)18-7;/h3-7,16-17H,1-2H2,(H2,11,12,13);1H2/t5-,6+,7+;/m0./s1
InChIKey
WZJWHIMNXWKNTO-VWZUFWLJSA-N
Chemical Structure
2D Structure
2D structure of 2'-Deoxyadenosine monohydrate
CAS: 16373-93-6
CID: 9549172
Formula: C10H15N5O4
MW: 269.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight269.26
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Exact Mass269.11240398
Monoisotopic Mass269.11240398
Topological Polar Surface Area120 Ų
Heavy Atom Count19
Formal Charge0
Complexity307
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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