chempirical

2′,3′-Dideoxycytidine 5′-monophosphate

C9H14N3O6PCAS 104086-76-2291.20 g/mol

Open in Covalent MOL file
HNNOPOOHOHOOHN
EtherPhenolPhosphate

Properties

Molecular formula
C9H14N3O6P
Molar mass
291.20 g/mol
Exact mass
291.0620 Da
logP
-0.14Crippen estimate
Polar surface area
137.9 Ų
H-bond donors / acceptors
4 / 6
Rotatable bonds
4
Stereocentres
R, Sin SMILES atom order

Identifiers

CAS number
104086-76-2
SMILES
N=c1ccn([C@H]2CC[C@@H](COP(=O)(O)O)O2)c(O)n1
InChIKey
RAJMXAZJKUGYGW-POYBYMJQSA-N
InChI
InChI=1S/C9H14N3O6P/c10-7-3-4-12(9(13)11-7)8-2-1-6(18-8)5-17-19(14,15)16/h3-4,6,8H,1-2,5H2,(H2,10,11,13)(H2,14,15,16)/t6-,8+/m0/s1

Weigh it out

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

Names and synonyms

4 names
  • 5′-Cytidylic acid, 2′,3′-dideoxy-
  • 2′,3′-Dideoxy-5′-cytidylic acid
  • 2′,3′-Dideoxycytidine monophosphate
  • Zalcitabine monophosphate

Work with 2′,3′-Dideoxycytidine 5′-monophosphate

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

Deoxycytidine monophosphate1032-65-168 % similar Dideoxycytidine7481-89-264 % similar Polycytidylic acid30811-80-463 % similar Cytidine monophosphate63-37-663 % similar Cytidine triphosphate65-47-452 % similar Cytidine 5′-(tetrahydrogen triphosphate), 2′-deoxy-, sodium salt (1:2)102783-51-751 % similar Poly(I:C)24939-03-550 % similar 3′-Cmp84-52-650 % similar

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

Elsewhere

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