2′-Deoxy Isocytidine

CAT: 0024-sc-500394Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-500394Size:100 mg

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CAS Number

123075-23-0

Chemical Information

2'-Deoxyisocytidine

CAS Number	123075-23-0
PubChem CID	14445949
IUPAC Name	2-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-4-one
Molecular Formula	C9H13N3O4
Molecular Weight	227.22
XLogP	-1.8
Topological Polar Surface Area	108
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	16
Formal Charge	0
Complexity	355

SMILES

C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)N=C2N)CO)O

InChI

InChI=1S/C9H13N3O4/c10-9-11-7(15)1-2-12(9)8-3-5(14)6(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)/t5-,6+,8+/m0/s1

InChIKey

HPDXILRPBZRTHG-SHYZEUOFSA-N

Chemical Structure

2D Structure

CAS: 123075-23-0

CID: 14445949

Formula: C9H13N3O4

MW: 227.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	227.22
XLogP3	-1.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	227.09060590
Monoisotopic Mass	227.09060590
Topological Polar Surface Area	108 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	355
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
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-489248	Isocytidine
sc-489249	Isocytidine Triphosphate Triethylamine Salt
sc-283471A	2'-Deoxy-2'-fluoroinosine
sc-275520A	2'-deoxy-2'-Fluorocytidine
sc-283469	2'-Deoxy-2'-fluoroadenosine
sc-283470	2'-Deoxy-2'-fluoroguanosine
sc-275520	2'-deoxy-2'-Fluorocytidine
sc-275522	2'-deoxy-2'-Fluorouridine
sc-275522A	2'-deoxy-2'-Fluorouridine
sc-283469A	2'-Deoxy-2'-fluoroadenosine

Catalog	Name
160047	2’-Deoxy Isocytidine
ND76392	2'-Deoxy-5-methyl-isocytidine
GTR19215314-01	3'-Deoxy-3'-azido-isocytidine
HY-152737	3’-Deoxy-3’-azido-isocytidine
CS-T-51993	2'-Deoxy Isocytidine-5',5'-d2 Monohydrate
160048	2’-Deoxy Isocytidine-5’,5’-d2 Monohydrate
GTR19215472-01	2'-O-Methyl isocytidine
GTR19214770-01	2',3'-Isopropylidene-isocytidine
ND167224-01	2',3'-Di-O-isopropylidene-isocytidine
GTR19215473-01	Isocytidine