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3'-O-Methylcytidine

CAT: 0926-NM06229-01Size: 0.25 gDry Ice: NoHazardous: No
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CAT#:0926-NM06229-01Size:0.25 g
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CAS Number
20594-00-7
Synonyms
3'-O-Methyl-D-cytidine
MDL Number
MFCD00057449
Smiles
CO[C@@H]1[C@H] (O[C@H] ([C@@H]1O) N2C=CC (=NC2=O) N) CO
Molecular Formula
C10H15N3O5
Molecular Weight
257.24 g/mol
Controlled
No

Chemical Information

3'-O-Methylcytidine

3'-O-Methylcytidine is a pyrimidine nucleoside.

CAS Number20594-00-7
PubChem CID18651938
IUPAC Name4-amino-1-[(2R,3R,4S,5R)-3-hydroxy-5-(hydroxymethyl)-4-methoxyoxolan-2-yl]pyrimidin-2-one
Molecular FormulaC10H15N3O5
Molecular Weight257.24
XLogP-2.1
Topological Polar Surface Area118
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count18
Formal Charge0
Complexity397
SMILES
CO[C@@H]1[C@H](O[C@H]([C@@H]1O)N2C=CC(=NC2=O)N)CO
InChI
InChI=1S/C10H15N3O5/c1-17-8-5(4-14)18-9(7(8)15)13-3-2-6(11)12-10(13)16/h2-3,5,7-9,14-15H,4H2,1H3,(H2,11,12,16)/t5-,7-,8-,9-/m1/s1
InChIKey
RZJCFLSPBDUNDH-ZOQUXTDFSA-N
Chemical Structure
2D Structure
2D structure of 3'-O-Methylcytidine
CAS: 20594-00-7
CID: 18651938
Formula: C10H15N3O5
MW: 257.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight257.24
XLogP3-2.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass257.10117059
Monoisotopic Mass257.10117059
Topological Polar Surface Area118 Ų
Heavy Atom Count18
Formal Charge0
Complexity397
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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