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2'-O- (2-Methoxyethyl) cytidine

CAT: 0926-NM16315-01Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0926-NM16315-01Size:500 mg
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CAS Number
223777-16-0
Smiles
COCCO[C@@H]1[C@@H] ([C@H] (O[C@H]1N2C=CC (=NC2=O) N) CO) O
Molecular Formula
C12H19N3O6
Molecular Weight
301.3 g/mol
Controlled
No

Chemical Information

2'-O-(2-Methoxyethyl)-cytidine
CAS Number223777-16-0
PubChem CID11077469
IUPAC Name4-amino-1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-(2-methoxyethoxy)oxolan-2-yl]pyrimidin-2-one
Molecular FormulaC12H19N3O6
Molecular Weight301.30
XLogP-1.7
Topological Polar Surface Area127
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count21
Formal Charge0
Complexity441
SMILES
COCCO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO)O
InChI
InChI=1S/C12H19N3O6/c1-19-4-5-20-10-9(17)7(6-16)21-11(10)15-3-2-8(13)14-12(15)18/h2-3,7,9-11,16-17H,4-6H2,1H3,(H2,13,14,18)/t7-,9-,10-,11-/m1/s1
InChIKey
YKOGMMXZKKVMBT-QCNRFFRDSA-N
Chemical Structure
2D Structure
2D structure of 2'-O-(2-Methoxyethyl)-cytidine
CAS: 223777-16-0
CID: 11077469
Formula: C12H19N3O6
MW: 301.30
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight301.30
XLogP3-1.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass301.12738533
Monoisotopic Mass301.12738533
Topological Polar Surface Area127 Ų
Heavy Atom Count21
Formal Charge0
Complexity441
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