2-C-Ethynyluridine

CAT: 0607-BA4339-100Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0607-BA4339-100Size:100 mg

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CAS Number

188413-98-1

Molecular Formula

C11H12N2O6

Molecular Weight

268.22

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

2'-c-Ethynyluridine

CAS Number	188413-98-1
PubChem CID	10778285
IUPAC Name	1-[(2R,3R,4R,5R)-3-ethynyl-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Molecular Formula	C11H12N2O6
Molecular Weight	268.22
XLogP	-2.4
Topological Polar Surface Area	119
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Heavy Atom Count	19
Formal Charge	0
Complexity	495

SMILES

C#C[C@]1([C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)O)O

InChI

InChI=1S/C11H12N2O6/c1-2-11(18)8(16)6(5-14)19-9(11)13-4-3-7(15)12-10(13)17/h1,3-4,6,8-9,14,16,18H,5H2,(H,12,15,17)/t6-,8-,9-,11-/m1/s1

InChIKey

KPLKOOBPQQYUTM-PNHWDRBUSA-N

Chemical Structure

2D Structure

CAS: 188413-98-1

CID: 10778285

Formula: C11H12N2O6

MW: 268.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	268.22
XLogP3	-2.4
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	268.06953611
Monoisotopic Mass	268.06953611
Topological Polar Surface Area	119 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	495
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
HY-W020361	2'-C-Ethynyluridine
MBS5826068	2'-beta-C-Ethynyluridine
HY-152476	3’-β-C-Ethynyluridine
MBS5826071	3'-beta-C-Ethynyluridine
T36971-01	5-Ethynyluridine
FD90413-01	(2’S) -2’-Deoxy-2’-fluoro-5-ethynyluridine
sc-500350	(2′S) -2′-Deoxy-2′-fluoro-5-ethynyluridine