A-Adenosine

CAT: 0926-NA175678-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0926-NA175678-01Size:1 mg

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CAS Number

5682-25-7

Synonyms

9-a-Ribofuranosyladenine

Smiles

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

Molecular Formula

C10H13N5O4

Molecular Weight

267.24 g/mol

Controlled

Chemical Information

9H-Purin-6-amine, 9-alpha-D-ribofuranosyl-

CAS Number	5682-25-7
PubChem CID	447270
IUPAC Name	(2S,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Molecular Formula	C10H13N5O4
Molecular Weight	267.24
XLogP	-1.1
Topological Polar Surface Area	140
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	2
Heavy Atom Count	19
Formal Charge	0
Complexity	335

SMILES

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

InChI

InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10+/m1/s1

InChIKey

OIRDTQYFTABQOQ-CRKDRTNXSA-N

Chemical Structure

2D Structure

CAS: 5682-25-7

CID: 447270

Formula: C10H13N5O4

MW: 267.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	267.24
XLogP3	-1.1
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	2
Exact Mass	267.09675391
Monoisotopic Mass	267.09675391
Topological Polar Surface Area	140 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	335
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

Catalog	Name
FA02660-01	Adenine
FA02943-01	Adenine sulphate
FA02944-01	Adenine hydrochloride
VID70978-01	Adenine hydrochloride-15N5
NT71492-01	Thionicotinamide adenine dinucleotide
NN11969-01	β-Nicotinamide adenine dinucleotide
NF182245-01	Flavin adenine dinucleotide
JEA92352	Adenine-2-d1
FA34819	Adenine hydrochloride hydrate
FA15479-01	Adenine sulfate dihydrate

Catalog	Name
B1877-5.1	Adenosine