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2'-Deoxy-3',2-anhydrouridine

CAT: 0931-TNU1106-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TNU1106-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
26922-44-1
Target
Nucleoside Antimetabolite/Analog, Others
Related Pathways
Cell Cycle/Checkpoint, Others, DNA Damage/DNA Repair
Bioactivity
; Nucleoside Derivatives - Anhydro-nucleosides
Smiles
C(O)[C@H]1O[C@]2(N3C(O[C@@]1(C2)[H])=NC(=O)C=C3)[H]
Molecular Formula
C9H10N2O4
Molecular Weight
210.19
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2'-Deoxy-3',2-anhydrouridine
CAS Number26922-44-1
PubChem CID50898772
IUPAC Name(1R,9S,10R)-10-(hydroxymethyl)-8,11-dioxa-2,6-diazatricyclo[7.2.1.02,7]dodeca-3,6-dien-5-one
Molecular FormulaC9H10N2O4
Molecular Weight210.19
XLogP-0.8
Topological Polar Surface Area71.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count15
Formal Charge0
Complexity365
SMILES
C1[C@H]2[C@H](O[C@H]1N3C=CC(=O)N=C3O2)CO
InChI
InChI=1S/C9H10N2O4/c12-4-6-5-3-8(14-6)11-2-1-7(13)10-9(11)15-5/h1-2,5-6,8,12H,3-4H2/t5-,6+,8+/m0/s1
InChIKey
OEYRUBVMMWUGKQ-SHYZEUOFSA-N
Chemical Structure
2D Structure
2D structure of 2'-Deoxy-3',2-anhydrouridine
CAS: 26922-44-1
CID: 50898772
Formula: C9H10N2O4
MW: 210.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight210.19
XLogP3-0.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass210.06405680
Monoisotopic Mass210.06405680
Topological Polar Surface Area71.4 Ų
Heavy Atom Count15
Formal Charge0
Complexity365
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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