Adenosine Impurity 1

CAT: 1596-AR-A05626-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-A05626-01Size:10 Units

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CAS Number

69427-80-1

Molecular Formula

C10H14N6O3

Molecular Weight

266.26

API Name

Adenosine

Chemical Information

2-Amino-2-deoxy-beta-arabinofuranosyladenine

RN given refers to (D)-isomer

CAS Number	69427-80-1
PubChem CID	3035929
IUPAC Name	(2R,3S,4S,5R)-4-amino-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
Molecular Formula	C10H14N6O3
Molecular Weight	266.26
XLogP	-1.3
Topological Polar Surface Area	145
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	2
Heavy Atom Count	19
Formal Charge	0
Complexity	334

SMILES

C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)N)N

InChI

InChI=1S/C10H14N6O3/c11-5-7(18)4(1-17)19-10(5)16-3-15-6-8(12)13-2-14-9(6)16/h2-5,7,10,17-18H,1,11H2,(H2,12,13,14)/t4-,5+,7-,10-/m1/s1

InChIKey

CQKMBZHLOYVGHW-GQTRHBFLSA-N

Chemical Structure

2D Structure

CAS: 69427-80-1

CID: 3035929

Formula: C10H14N6O3

MW: 266.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	266.26
XLogP3	-1.3
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	2
Exact Mass	266.11273833
Monoisotopic Mass	266.11273833
Topological Polar Surface Area	145 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	334
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes