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2'-O,4'-C-Methyleneuridine

CAT: 0931-T35653-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T35653-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
200435-92-3
Target
Others, Nucleoside Antimetabolite/Analog
Related Pathways
Others, DNA Damage/DNA Repair, Cell Cycle/Checkpoint
Purity
0.98799
Bioactivity
2'-O,4'-C-Methyleneuridine is a novel bicyclic nucleoside analog with a characteristic C3'-endo sugar puckering.
Smiles
C(O)[C@@]12O[C@H]([C@@]([C@@H]1O)(OC2)[H])N3C(=O)NC(=O)C=C3
Molecular Formula
C10H12N2O6
Molecular Weight
256.21
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1-((1S,3R,4R,7S)-7-hydroxy-1-(hydroxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl)pyrimidine-2,4(1H,3H)-dione
CAS Number200435-92-3
PubChem CID15546052
IUPAC Name1-[(1S,3R,4R,7S)-7-hydroxy-1-(hydroxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]pyrimidine-2,4-dione
Molecular FormulaC10H12N2O6
Molecular Weight256.21
XLogP-2.2
Topological Polar Surface Area108
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count18
Formal Charge0
Complexity438
SMILES
C1[C@]2([C@H]([C@@H](O1)[C@@H](O2)N3C=CC(=O)NC3=O)O)CO
InChI
InChI=1S/C10H12N2O6/c13-3-10-4-17-6(7(10)15)8(18-10)12-2-1-5(14)11-9(12)16/h1-2,6-8,13,15H,3-4H2,(H,11,14,16)/t6-,7+,8-,10+/m1/s1
InChIKey
KNLNWXXWKDEEFW-JIOCBJNQSA-N
Chemical Structure
2D Structure
2D structure of 1-((1S,3R,4R,7S)-7-hydroxy-1-(hydroxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl)pyrimidine-2,4(1H,3H)-dione
CAS: 200435-92-3
CID: 15546052
Formula: C10H12N2O6
MW: 256.21
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight256.21
XLogP3-2.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass256.06953611
Monoisotopic Mass256.06953611
Topological Polar Surface Area108 Ų
Heavy Atom Count18
Formal Charge0
Complexity438
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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Alternative Products

CatalogName
BA4300-1002’-O,4’-C-Methyleneuridine
MBS57969702'-O,4'-C-Methyleneuridine
HY-1543715’-O-Benzoyl-2’-O,4’-C-methyleneuridine
MBS58271665'-O-Benzoyl-2'-O,4'-C-methyleneuridine
MBS58171115'-O-Benzoyl-3'-O-(4-methoxybenzyl)-2'-O,4'-C-methyleneuridine
GTR19221401-015'-O-Benzoyl-3'-O- (4-methoxybenzyl) -2'-O,4'-C-methyleneuridine
HY-1540405’-O-Benzoyl-3’-O- (4-methoxybenzyl) -2’-O,4’-C-methyleneuridine
MBS58268435'-O-Benzoyl-3'-O-(4-methoxybenzoyl)-2'-O,4'-C-methyleneuridine
GTR19214300-015'-O-Benzoyl-3'-O- (4-methoxybenzoyl) -2'-O,4'-C-methyleneuridine
HY-1540425’-Azido-5’-deoxy-2’-O,4’-C-methyleneuridine

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