Fiacitabine

CAT: 0607-BA1999-1Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0607-BA1999-1Size:1 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

69123-90-6

Form

A solid

Molecular Formula

C9H11FIN3O4

Molecular Weight

371.10

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

Fiac

Fiacitabine has been used in trials studying the treatment of HIV Infections and Cytomegalovirus Infections.

CAS Number	69123-90-6
PubChem CID	50312
IUPAC Name	4-amino-1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidin-2-one
Molecular Formula	C9H11FIN3O4
Molecular Weight	371.10
XLogP	-0.7
Topological Polar Surface Area	108
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	18
Formal Charge	0
Complexity	430

SMILES

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

InChI

InChI=1S/C9H11FIN3O4/c10-5-6(16)4(2-15)18-8(5)14-1-3(11)7(12)13-9(14)17/h1,4-6,8,15-16H,2H2,(H2,12,13,17)/t4-,5+,6-,8-/m1/s1

InChIKey

GIMSJJHKKXRFGV-BYPJNBLXSA-N

Chemical Structure

2D Structure

CAS: 69123-90-6

CID: 50312

Formula: C9H11FIN3O4

MW: 371.10

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	371.10
XLogP3	-0.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	370.97783
Monoisotopic Mass	370.97783
Topological Polar Surface Area	108 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	430
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