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Antiviral agent 18

CAT: 0931-T60673-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T60673-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2170185-97-2
Target
Others, Antibiotic
Related Pathways
Microbiology/Virology, Others
Bioactivity
Antiviral agent 18 (Compound 5) demonstrates significant antiviral activity against murine norovirus and holds potential for research in infectious and malignant diseases [1].
Smiles
O[C@H]1[C@H](C=2N3C(=C(Cl)C2)C(N)=NC=N3)O[C@H](CO)[C@H]1O
Molecular Formula
C11H13ClN4O4
Molecular Weight
300.7
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Antiviral agent 18
CAS Number2170185-97-2
PubChem CID162660830
IUPAC Name(2S,3R,4S,5R)-2-(4-amino-5-chloropyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Molecular FormulaC11H13ClN4O4
Molecular Weight300.70
XLogP-1.1
Topological Polar Surface Area126
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Heavy Atom Count20
Formal Charge0
Complexity365
SMILES
C1=C(N2C(=C1Cl)C(=NC=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI
InChI=1S/C11H13ClN4O4/c12-4-1-5(16-7(4)11(13)14-3-15-16)10-9(19)8(18)6(2-17)20-10/h1,3,6,8-10,17-19H,2H2,(H2,13,14,15)/t6-,8-,9-,10+/m1/s1
InChIKey
SCNMZKANWHQNEA-QQRDMOCMSA-N
Chemical Structure
2D Structure
2D structure of Antiviral agent 18
CAS: 2170185-97-2
CID: 162660830
Formula: C11H13ClN4O4
MW: 300.70
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight300.70
XLogP3-1.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Exact Mass300.0625326
Monoisotopic Mass300.0625326
Topological Polar Surface Area126 Ų
Heavy Atom Count20
Formal Charge0
Complexity365
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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