Adenosine-1'-13C

CAT: 0024-sc-480218Size: 2.5 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-480218Size:2.5 mg

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CAS Number

201996-55-6

Chemical Information

Adenosine-1'-13C

CAS Number	201996-55-6
PubChem CID	21580289
IUPAC Name	(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)(213C)oxolane-3,4-diol
Molecular Formula	C10H13N5O4
Molecular Weight	268.23
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)[13C@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/i10+1

InChIKey

OIRDTQYFTABQOQ-OGIWRBOVSA-N

Chemical Structure

2D Structure

CAS: 201996-55-6

CID: 21580289

Formula: C10H13N5O4

MW: 268.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	268.23
XLogP3	-1.1
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	2
Exact Mass	268.10010875
Monoisotopic Mass	268.10010875
Topological Polar Surface Area	140 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	335
Isotope Atom Count	1
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
sc-479599	Adenosine-5'-13C
sc-480226	Adenosine-3'-13C
sc-479690	Adenosine 5'-Monophosphate-1'-13C Disodium Salt
sc-287278A	[1'-13C]ribothymidine
sc-287279	[1'-13C]uridine
sc-287061A	[1-13C]glycolaldehyde
sc-287278	[1'-13C]ribothymidine
sc-235369B	Iodoethane-1-13C
sc-235369A	Iodoethane-1-13C
sc-500598	Cytidine-1'-13C