5'-Deoxy-5'-iodothymidine

CAT: 0024-sc-284710Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-284710Size:25 mg

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CAS Number

25953-14-4

Chemical Information

5'-Deoxy-5'-iodothymidine

CAS Number	25953-14-4
PubChem CID	10043561
IUPAC Name	1-[(2R,4S,5S)-4-hydroxy-5-(iodomethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Molecular Formula	C10H13IN2O4
Molecular Weight	352.13
XLogP	0.1
Topological Polar Surface Area	78.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	17
Formal Charge	0
Complexity	385

SMILES

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CI)O

InChI

InChI=1S/C10H13IN2O4/c1-5-4-13(10(16)12-9(5)15)8-2-6(14)7(3-11)17-8/h4,6-8,14H,2-3H2,1H3,(H,12,15,16)/t6-,7+,8+/m0/s1

InChIKey

LEQXAJKTJWCXEC-XLPZGREQSA-N

Chemical Structure

2D Structure

CAS: 25953-14-4

CID: 10043561

Formula: C10H13IN2O4

MW: 352.13

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	352.13
XLogP3	0.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	351.99200
Monoisotopic Mass	351.99200
Topological Polar Surface Area	78.9 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	385
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