chempirical

Deoxycytidine

C9H13N3O4CAS 951-77-9227.22 g/mol

Open in Covalent MOL file
HNNOHOHOOHN
AlcoholEtherPhenol

Properties

Molecular formula
C9H13N3O4
Molar mass
227.22 g/mol
Exact mass
227.0906 Da
Melting point
201–203 °C
logP
-1.29Crippen 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
951-77-9
SMILES
N=c1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(O)n1
InChIKey
CKTSBUTUHBMZGZ-SHYZEUOFSA-N
InChI
InChI=1S/C9H13N3O4/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)/t5-,6+,8+/m0/s1

Weigh it out

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

Names and synonyms

9 names
  • Cytidine, 2′-deoxy-
  • Cytidine, deoxy-
  • 2′-Deoxycytidine
  • Cytosine deoxyribonucleoside
  • Cytosine deoxyriboside
  • Deoxyribose cytidine
  • 2(1H)-Pyrimidinone, 4-amino-1-(2-deoxy-β-D-erythro-pentofuranosyl)-
  • 4-Amino-1-(2-deoxy-β-D-erythro-pentofuranosyl)-2(1H)-pyrimidinone
  • 1-(2-Deoxy-β-D-ribofuranosyl)cytosine

Work with Deoxycytidine

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

2′-Deoxycytidine hydrochloride3992-42-593 % similar 5-Aza-2′-deoxycytidine2353-33-565 % similar Dideoxycytidine7481-89-263 % similar 2′-Deoxycytidine 5′-phosphate disodium salt13085-50-262 % similar Lamivudine134678-17-462 % similar Cytarabine147-94-462 % similar Cytidine65-46-362 % similar Deoxyuridine951-78-061 % similar

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

Elsewhere

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