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2'-O-Propargyl-rC (Ac)

CAT: 0804-HY-178666Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-178666Size:1 Each
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Description
2'-O-Propargyl-rC (Ac) is a monomeric raw material that can be used for nucleic acid synthesis.
CAS Number
1498305-49-9
UNSPSC
12352005
Target
Nucleoside Antimetabolite/Analog
Related Pathways
Cell Cycle/DNA Damage
Field of Research
Metabolic Disease
Smiles
OC[C@@H]1[C@@H](O)[C@@H](OCC#C)[C@H](N2C(N=C(C=C2)NC(C)=O)=O)O1
Molecular Formula
C14H17N3O6
Molecular Weight
323.30
Shipping Conditions
Room temperature
Scientific Category
Oligonucleotides
Clinical Information
No Development Reported

Chemical Information

N-[1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-prop-2-ynoxy-tetrahydrofuran-2-yl]-2-oxo-pyrimidin-4-yl]acetamide
CAS Number1498305-49-9
PubChem CID169548277
IUPAC NameN-[1-[4-hydroxy-5-(hydroxymethyl)-3-prop-2-ynoxyoxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide
Molecular FormulaC14H17N3O6
Molecular Weight323.30
XLogP-0.7
Topological Polar Surface Area121
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count23
Formal Charge0
Complexity593
SMILES
CC(=O)NC1=NC(=O)N(C=C1)C2C(C(C(O2)CO)O)OCC#C
InChI
InChI=1S/C14H17N3O6/c1-3-6-22-12-11(20)9(7-18)23-13(12)17-5-4-10(15-8(2)19)16-14(17)21/h1,4-5,9,11-13,18,20H,6-7H2,2H3,(H,15,16,19,21)
InChIKey
RZSMJQNVJQVIFP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-prop-2-ynoxy-tetrahydrofuran-2-yl]-2-oxo-pyrimidin-4-yl]acetamide
CAS: 1498305-49-9
CID: 169548277
Formula: C14H17N3O6
MW: 323.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight323.30
XLogP3-0.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass323.11173527
Monoisotopic Mass323.11173527
Topological Polar Surface Area121 Ų
Heavy Atom Count23
Formal Charge0
Complexity593
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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GTR19279740-012'-O-Propargyl-rC (Ac)
PA039-10DMTr-2'-O-propargyl-rC (Ac) -3'-CE-Phosphoramidite
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