2',3'-Dideoxy-5-iodocytidine

CAT: 0127-OR1032410Size: 1 EachDry Ice: NoHazardous: No

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CAT#:0127-OR1032410Size:1 Each

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CAS Number

114748-57-1

Purity

98%

Smiles

OC[C@H]1O[C@@H](N2C(N=C(N)C(I)=C2)=O)CC1

Chemical Information

2',3'-Dideoxy-5-iodocytidine

CAS Number	114748-57-1
PubChem CID	14630104
IUPAC Name	4-amino-1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidin-2-one
Molecular Formula	C9H12IN3O3
Molecular Weight	337.11
XLogP	-0.3
Topological Polar Surface Area	88.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	16
Formal Charge	0
Complexity	369

SMILES

C1C[C@@H](O[C@@H]1CO)N2C=C(C(=NC2=O)N)I

InChI

InChI=1S/C9H12IN3O3/c10-6-3-13(9(15)12-8(6)11)7-2-1-5(4-14)16-7/h3,5,7,14H,1-2,4H2,(H2,11,12,15)/t5-,7+/m0/s1

InChIKey

AMWJPSDPTPKJGN-CAHLUQPWSA-N

Chemical Structure

2D Structure

CAS: 114748-57-1

CID: 14630104

Formula: C9H12IN3O3

MW: 337.11

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	337.11
XLogP3	-0.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	336.99234
Monoisotopic Mass	336.99234
Topological Polar Surface Area	88.2 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	369
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
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
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