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Ro 31-6840

CAT: 0804-HY-W995229-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W995229-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Ro 31-6840 is an active compound.
CAS Number
119555-47-4
Product Name Alternative
2'βFddC
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
Drug Derivative
Type
Reference compound
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/ro-31-6840.html
Smiles
OC[C@@H]1C[C@H](F)[C@H](N2C=CC(N)=NC2=O)O1
Molecular Formula
C9H12FN3O3
Molecular Weight
229.21
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
References & Citations
[1]Biological and Biochemical Studies on Ro31-6840 (2′ βFddC), a Dideoxynucleoside Analogue Active Against Human Imhunodeficiency Virus Type 1 (HIV-1)
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

1-(2,3-Dideoxy-2-fluoropentofuranosyl)cytosine

has antiviral activity against HIV-1; structure given in first source; RN given refers to (beta-D-threo)-isomer

CAS Number119555-47-4
PubChem CID64990
IUPAC Name4-amino-1-[(2R,3S,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
Molecular FormulaC9H12FN3O3
Molecular Weight229.21
XLogP-0.9
Topological Polar Surface Area88.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity358
SMILES
C1[C@H](O[C@H]([C@H]1F)N2C=CC(=NC2=O)N)CO
InChI
InChI=1S/C9H12FN3O3/c10-6-3-5(4-14)16-8(6)13-2-1-7(11)12-9(13)15/h1-2,5-6,8,14H,3-4H2,(H2,11,12,15)/t5-,6-,8+/m0/s1
InChIKey
LTDCCBLBAQXNKP-VMHSAVOQSA-N
Chemical Structure
2D Structure
2D structure of 1-(2,3-Dideoxy-2-fluoropentofuranosyl)cytosine
CAS: 119555-47-4
CID: 64990
Formula: C9H12FN3O3
MW: 229.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight229.21
XLogP3-0.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass229.08626942
Monoisotopic Mass229.08626942
Topological Polar Surface Area88.2 Ų
Heavy Atom Count16
Formal Charge0
Complexity358
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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