2'-Fluorothymidine

CAT: 0127-BUP11607-03Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP11607-03Size:25 mg

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CAS Number

122799-38-6

Synonyms

2'-?Deoxy-?2'-?fluoro-?5-?Methyluridine, 2'-Deoxy-2'-fluoro-5-Methyluridine

Purity

=98%

Smiles

Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2F)c(=O)[nH]c1=O

Chemical Information

2'-Fluorothymidine

structure given in first source

CAS Number	122799-38-6
PubChem CID	159498
IUPAC Name	1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Molecular Formula	C10H13FN2O5
Molecular Weight	260.22
XLogP	-0.9
Topological Polar Surface Area	99.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Heavy Atom Count	18
Formal Charge	0
Complexity	413

SMILES

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

InChI

InChI=1S/C10H13FN2O5/c1-4-2-13(10(17)12-8(4)16)9-6(11)7(15)5(3-14)18-9/h2,5-7,9,14-15H,3H2,1H3,(H,12,16,17)/t5-,6-,7-,9-/m1/s1

InChIKey

GBBJCSTXCAQSSJ-JXOAFFINSA-N

Chemical Structure

2D Structure

CAS: 122799-38-6

CID: 159498

Formula: C10H13FN2O5

MW: 260.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	260.22
XLogP3	-0.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	260.08084968
Monoisotopic Mass	260.08084968
Topological Polar Surface Area	99.1 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	413
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

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