chempirical

2′-Deoxycytidine hydrochloride

C9H14ClN3O4CAS 3992-42-5263.68 g/mol

Open in Covalent MOL file
HClHNNOHOHOOHN
AlcoholEtherPhenol

Properties

Molecular formula
C9H14ClN3O4
Molar mass
263.68 g/mol
Exact mass
263.0673 Da
Melting point
163 °C
logP
-0.87Crippen estimate
Polar surface area
111.6 Ų
H-bond donors / acceptors
4 / 6
Rotatable bonds
2
Stereocentres
R, S, Rin SMILES atom order

Identifiers

CAS number
3992-42-5
SMILES
Cl.N=c1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(O)n1
InChIKey
LTKCXZGFJFAPLY-OERIEOFYSA-N
InChI
InChI=1S/C9H13N3O4.ClH/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8;/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15);1H/t5-,6+,8+;/m0./s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • Cytidine, 2′-deoxy-, hydrochloride (1:1)
  • Cytidine, 2′-deoxy-, monohydrochloride
  • 2′-Deoxycytidine monohydrochloride
  • Deoxycytidine hydrochloride
  • NSC 83251

Work with 2′-Deoxycytidine hydrochloride

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

Deoxycytidine951-77-993 % similar Cytarabine hydrochloride69-74-964 % similar Deoxycytidine monophosphate1032-65-163 % similar 5-Aza-2′-deoxycytidine2353-33-562 % similar Gemcitabine hydrochloride122111-03-961 % similar Deoxyuridine951-78-060 % similar 2′-Deoxycytidine 5′-phosphate disodium salt13085-50-259 % similar Dideoxycytidine7481-89-259 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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