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5′-Fluoro-5′-deoxyadenosine

CAT: 0804-HY-W616732-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W616732-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
5′-Fluoro-5′-deoxyadenosine is an active compound.
CAS Number
731-98-6
Product Name Alternative
5'-FDA
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/5-fluoro-5-deoxyadenosine.html
Purity
96.22
Solubility
DMSO : 20 mg/mL (ultrasonic; adjust pH to 2 with 1 M HCl)
Smiles
NC1=NC=NC2=C1N=CN2[C@H]3[C@H](O)[C@H](O)[C@@H](CF)O3
Molecular Formula
C10H12FN5O3
Molecular Weight
269.23
Precautions
H302, H315, H319, H335
References & Citations
[1]Biosynthesis of an organofluorine molecule
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, stored under nitrogen, away from moisture)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

5'-Deoxy-5'-fluoroadenosine

5'-deoxy-5'-fluoroadenosine is a member of adenosines and an organofluorine compound.

CAS Number731-98-6
PubChem CID448403
IUPAC Name(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-(fluoromethyl)oxolane-3,4-diol
Molecular FormulaC10H12FN5O3
Molecular Weight269.23
XLogP-0.6
Topological Polar Surface Area119
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Heavy Atom Count19
Formal Charge0
Complexity338
SMILES
C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CF)O)O)N
InChI
InChI=1S/C10H12FN5O3/c11-1-4-6(17)7(18)10(19-4)16-3-15-5-8(12)13-2-14-9(5)16/h2-4,6-7,10,17-18H,1H2,(H2,12,13,14)/t4-,6-,7-,10-/m1/s1
InChIKey
QPVLKMICBYRPSX-KQYNXXCUSA-N
Chemical Structure
2D Structure
2D structure of 5'-Deoxy-5'-fluoroadenosine
CAS: 731-98-6
CID: 448403
Formula: C10H12FN5O3
MW: 269.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight269.23
XLogP3-0.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Exact Mass269.09241742
Monoisotopic Mass269.09241742
Topological Polar Surface Area119 Ų
Heavy Atom Count19
Formal Charge0
Complexity338
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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