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(-)-beta-D-Dioxolane-5-fluoro Cytidine

CAT: 0572-TRC-D486825-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D486825-100MGSize:100 mg
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CAS Number
145397-26-8
Synonyms
(-)-beta-D-Dioxolane-5-fluoro Cytidine
Hazard Statement
No Data Available
Smiles
NC1=NC(=O)N(C=C1F)[C@@H]2CO[C@H](CO)O2
Molecular Formula
C8 H10 F N3 O4
Molecular Weight
231.181
InChI
InChI=1S/C8H10FN3O4/c9-4-1-12(8(14)11-7(4)10)5-3-15-6(2-13)16-5/h1,5-6,13H,2-3H2,(H2,10,11,14)/t5-,6-/m0/s1
Additionnal Information
IUPAC name: 4-amino-5-fluoro-1-[(2S,4S)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2-one
Shipping Conditions
Room Temperature

Chemical Information

5-Fhmed-cytosine

structure given in first source; has anti-HIV activity; RN refers to (2S-cis)-isomer

CAS Number145397-26-8
PubChem CID477194
IUPAC Name4-amino-5-fluoro-1-[(2S,4S)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2-one
Molecular FormulaC8H10FN3O4
Molecular Weight231.18
XLogP-1.9
Topological Polar Surface Area97.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity370
SMILES
C1[C@H](O[C@H](O1)CO)N2C=C(C(=NC2=O)N)F
InChI
InChI=1S/C8H10FN3O4/c9-4-1-12(8(14)11-7(4)10)5-3-15-6(2-13)16-5/h1,5-6,13H,2-3H2,(H2,10,11,14)/t5-,6-/m0/s1
InChIKey
RJKXXGNCKMQXTH-WDSKDSINSA-N
Chemical Structure
2D Structure
2D structure of 5-Fhmed-cytosine
CAS: 145397-26-8
CID: 477194
Formula: C8H10FN3O4
MW: 231.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight231.18
XLogP3-1.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass231.06553397
Monoisotopic Mass231.06553397
Topological Polar Surface Area97.4 Ų
Heavy Atom Count16
Formal Charge0
Complexity370
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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sc-497936(-) -β-D-Dioxolane-5-fluoro Cytidine
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HY-1526405-Fluoro-4’-thio-cytidine
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