Ethynylcytidine 50mg

CAT: 0628-A17045-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0628-A17045-50Size:50 mg

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CAS Number

180300-43-0

Chemical Information

Tas-106

3'-C-Ethynylcytidine is a pyrimidine nucleoside.

CAS Number	180300-43-0
PubChem CID	176885
IUPAC Name	4-amino-1-[(2R,3R,4S,5R)-4-ethynyl-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
Molecular Formula	C11H13N3O5
Molecular Weight	267.24
XLogP	-2.7
Topological Polar Surface Area	129
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	19
Formal Charge	0
Complexity	508

SMILES

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

InChI

InChI=1S/C11H13N3O5/c1-2-11(18)6(5-15)19-9(8(11)16)14-4-3-7(12)13-10(14)17/h1,3-4,6,8-9,15-16,18H,5H2,(H2,12,13,17)/t6-,8+,9-,11-/m1/s1

InChIKey

JFIWEPHGRUDAJN-DYUFWOLASA-N

Chemical Structure

2D Structure

CAS: 180300-43-0

CID: 176885

Formula: C11H13N3O5

MW: 267.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	267.24
XLogP3	-2.7
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	267.08552052
Monoisotopic Mass	267.08552052
Topological Polar Surface Area	129 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	508
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
BA3988-5	Ethynylcytidine
NE162957-01	5-Ethynylcytidine
HY-152474	2’-β-C-Ethynylcytidine
NE158375-01	2'-C-Ethynylcytidine
ND161709-01	2'-Deoxy-5-ethynylcytidine
TNU0473-01	2'-beta-C-Ethynylcytidine
1871-50mg	TDM, 50mg
PPCBRPC010L50GA	50mg/1mL
1362-50mg	ABTS, 50mg
LC526	(FAT BLASTER) L-Carnitine 300mg Methionine 25mg Inositol 50mg Choline 50mg B12 1mg B6 50mg NADH 50mg