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UMM-766

CAT: 0013-GTR19234093-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19234093-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
UMM-766 is an orally bioavailable nucleoside analog with broad-spectrum anti-poxviral activity. It has demonstrated efficacy in both in vitro assays and in vivo mouse models of orthopoxvirus infection, making it a candidate for antiviral research.
CAS Number
443643-17-2
Field of Research
Infectious Disease & Virology
Smiles
C[C@]1 (O) [C@H] (N2C=3C (C (F) =C2) =C (N) N=CN3) O[C@H] (CO) [C@H]1O
Molecular Formula
C12H15FN4O4
Molecular Weight
298.27
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(2R,3R,4R,5R)-2-(4-amino-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
CAS Number443643-17-2
PubChem CID3011897
IUPAC Name(2R,3R,4R,5R)-2-(4-amino-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
Molecular FormulaC12H15FN4O4
Molecular Weight298.27
XLogP-1.1
Topological Polar Surface Area127
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Heavy Atom Count21
Formal Charge0
Complexity405
SMILES
C[C@]1([C@@H]([C@H](O[C@H]1N2C=C(C3=C(N=CN=C32)N)F)CO)O)O
InChI
InChI=1S/C12H15FN4O4/c1-12(20)8(19)6(3-18)21-11(12)17-2-5(13)7-9(14)15-4-16-10(7)17/h2,4,6,8,11,18-20H,3H2,1H3,(H2,14,15,16)/t6-,8-,11-,12-/m1/s1
InChIKey
YOAGQSGRMBEQCY-YUTYNTIBSA-N
Chemical Structure
2D Structure
2D structure of (2R,3R,4R,5R)-2-(4-amino-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
CAS: 443643-17-2
CID: 3011897
Formula: C12H15FN4O4
MW: 298.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight298.27
XLogP3-1.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Exact Mass298.10773313
Monoisotopic Mass298.10773313
Topological Polar Surface Area127 Ų
Heavy Atom Count21
Formal Charge0
Complexity405
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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