3'-O-Methylcytidine

C10H15N3O5CAS 20594-00-7257.25 g/mol

Open in Covalent MOL file
OOOHNNONH2OH
AlcoholEtherPrimary amine

Properties

Molecular formula
C10H15N3O5
Molar mass
257.25 g/mol
Exact mass
257.1012 Da
logP
-1.91Crippen estimate
Polar surface area
119.8 Ų
H-bond donors / acceptors
3 / 7
Rotatable bonds
3
Stereocentres
S, R, R, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
20594-00-7
SMILES
CO[C@@H]1[C@H](O[C@H]([C@@H]1O)N2C=CC(=NC2=O)N)CO
InChIKey
RZJCFLSPBDUNDH-ZOQUXTDFSA-N
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

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Names and synonyms

1 names
  • 3'-(O-Methyl)cytidine

Work with 3'-O-Methylcytidine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3'-Fluoro-3'-deoxycytidine123402-20-070 % similar 2′-O-Methyluridine2140-76-363 % similar 3'-O-Methyluridine6038-59-159 % similar Uracil arabinoside3083-77-055 % similar Uridine58-96-855 % similar 4-Thiouridine13957-31-854 % similar N4-Hydroxycytidine3258-02-453 % similar 3′-O-Methyladenosine10300-22-852 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N(4)-Methylcytidine10578-79-7 2'-C-Methylcytidine20724-73-6 5-Methylcytidine2140-61-6 2′-O-Methylcytidine2140-72-9 Benserazide322-35-0

Elsewhere

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