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2'-O-4'-C-Locked-rC (Bz)

CAT: 0804-HY-178600Size: 1 EachDry Ice: NoHazardous: No
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Description
2'-O-4'-C-Locked-rC (Bz) is a monomeric raw material that can be used for nucleic acid synthesis.
CAS Number
221229-74-9
UNSPSC
12352005
Target
Nucleoside Antimetabolite/Analog
Related Pathways
Cell Cycle/DNA Damage
Field of Research
Metabolic Disease
Smiles
OC[C@]12[C@@H](O)[C@@H](OC2)[C@H](N3C(N=C(C=C3)NC(C4=CC=CC=C4)=O)=O)O1
Molecular Formula
C17H17N3O6
Molecular Weight
359.33
Shipping Conditions
Room temperature
Scientific Category
Oligonucleotides
Clinical Information
No Development Reported

Chemical Information

N4-Benzoyl-2'-O,4'-C-methylenecytidine
CAS Number221229-74-9
PubChem CID101169767
IUPAC NameN-[1-[(1S,3R,4R,7S)-7-hydroxy-1-(hydroxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-2-oxopyrimidin-4-yl]benzamide
Molecular FormulaC17H17N3O6
Molecular Weight359.3
XLogP-0.7
Topological Polar Surface Area121
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity659
SMILES
C1[C@]2([C@H]([C@@H](O1)[C@@H](O2)N3C=CC(=NC3=O)NC(=O)C4=CC=CC=C4)O)CO
InChI
InChI=1S/C17H17N3O6/c21-8-17-9-25-12(13(17)22)15(26-17)20-7-6-11(19-16(20)24)18-14(23)10-4-2-1-3-5-10/h1-7,12-13,15,21-22H,8-9H2,(H,18,19,23,24)/t12-,13+,15-,17+/m1/s1
InChIKey
UGCGCZCBMWZAKA-CXUGXGMPSA-N
Chemical Structure
2D Structure
2D structure of N4-Benzoyl-2'-O,4'-C-methylenecytidine
CAS: 221229-74-9
CID: 101169767
Formula: C17H17N3O6
MW: 359.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight359.3
XLogP3-0.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass359.11173527
Monoisotopic Mass359.11173527
Topological Polar Surface Area121 Ų
Heavy Atom Count26
Formal Charge0
Complexity659
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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