chempirical

3′-Cmp

C9H14N3O8PCAS 84-52-6323.20 g/mol

Open in Covalent MOL file
HNNOOHOPOOHOHHOOHN
AlcoholEtherPhenolPhosphate

Properties

Molecular formula
C9H14N3O8P
Molar mass
323.20 g/mol
Exact mass
323.0519 Da
Melting point
233 °C (decomposes)
logP
-2.20Crippen estimate
Polar surface area
178.3 Ų
H-bond donors / acceptors
6 / 8
Rotatable bonds
4
Stereocentres
R, R, S, Rin SMILES atom order

Identifiers

CAS number
84-52-6
SMILES
N=c1ccn([C@@H]2O[C@H](CO)[C@@H](OP(=O)(O)O)[C@H]2O)c(O)n1
InChIKey
UOOOPKANIPLQPU-XVFCMESISA-N
InChI
InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-6(14)7(4(3-13)19-8)20-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1

Weigh it out

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

Names and synonyms

9 names
  • 3′-Cytidylic acid
  • Cytidine, 3′-phosphate
  • Cytidine 3′-monophosphate
  • 3′-Cytidinephosphoric acid
  • Cytidylic acid b
  • 3′-Cytosylic acid
  • Ribocytidine 3′-monophosphate
  • 5-(4-Amino-2-oxopyrimidin-1(2H)-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl dihydrogen phosphate
  • [5-(4-Amino-2-oxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate

Work with 3′-Cmp

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

Cytarabine147-94-469 % similar Cytidine65-46-369 % similar Cytarabine hydrochloride69-74-965 % similar Cytidine, sulfate (salt)32747-18-562 % similar 2′-O-Methylcytidine2140-72-962 % similar 2′-Deoxy-2′-fluorocytidine10212-20-161 % similar Cytidine triphosphate65-47-461 % similar 2′-O-(2-Methoxyethyl)cytidine223777-16-057 % similar

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

Same formula

Polycytidylic acid30811-80-4 Cytidine monophosphate63-37-6 2′-Cytidylic acid85-94-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook