5-Iodocytidine

CAT: 0024-sc-202426Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-202426Size:5 mg

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CAS Number

1147-23-5

Chemical Information

Iodocytidine

RN given refers to parent cpd

CAS Number	1147-23-5
PubChem CID	159359
IUPAC Name	4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidin-2-one
Molecular Formula	C9H12IN3O5
Molecular Weight	369.11
XLogP	-1.7
Topological Polar Surface Area	129
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	18
Formal Charge	0
Complexity	426

SMILES

C1=C(C(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)I

InChI

InChI=1S/C9H12IN3O5/c10-3-1-13(9(17)12-7(3)11)8-6(16)5(15)4(2-14)18-8/h1,4-6,8,14-16H,2H2,(H2,11,12,17)/t4-,5-,6-,8-/m1/s1

InChIKey

LQQGJDJXUSAEMZ-UAKXSSHOSA-N

Chemical Structure

2D Structure

CAS: 1147-23-5

CID: 159359

Formula: C9H12IN3O5

MW: 369.11

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	369.11
XLogP3	-1.7
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	368.98217
Monoisotopic Mass	368.98217
Topological Polar Surface Area	129 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	426
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
sc-207038	5-Iodocytosine
sc-254243	2-Fluoro-5-iodopyridine
sc-262589	5-Cyano-2-iodopyridine
sc-298418	2-Cyclopentyloxy-5-iodopyridine
sc-225423	2-Hydroxy-5-iodopyridine
sc-254778	5-Bromo-2-iodopyridine
sc-278141	5-Chloro-2-iodopyridine
sc-259443	2-Acetylamino-5-iodopyridine
sc-233224	5-Amino-2-iodopyridine
sc-260966	3-Fluoro-5-iodopyridine

Catalog	Name
TRC-I697500-100MG	5-Iodocytidine
295749-01	2'-Deoxy-5-iodocytidine
T38527	2',3'-Dideoxy-5-iodocytidine
I8447-36	5-Iodocytidine (1-ß-D-Ribofuranosyl-5-iodocytosine)
ND158763	2'-Deoxy-5'-O-DMT-5-iodocytidine
MBS5826298	N4-Benzoyl-2'-deoxy-5-iodocytidine
421081-01	2'-Deoxy-2'-fluoro-5-iodocytidine
HY-154660	N4-Benzoyl-2’-deoxy-5-iodocytidine
NI159413-01	5-Iodocytidine 5'-triphosphate sodium salt - 100mM solution
NB08949-01	5'-O-tert-Butyldimethylsilyl-2'-deoxy-5-iodocytidine