Cytidine monophosphate

C9H14N3O8PCAS 63-37-6323.20 g/mol

Open in Covalent MOL file
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AlcoholEtherPhenolPhosphate

Properties

Molecular formula
C9H14N3O8P
Molar mass
323.20 g/mol
Exact mass
323.0519 Da
Melting point
225 °C
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

Hazards

Not classified as hazardous under GHS by 18 ECHA notifiers. Aggregated from 18 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
63-37-6
SMILES
N=c1ccn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c(O)n1
InChIKey
IERHLVCPSMICTF-XVFCMESISA-N
InChI
InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(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

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Names and synonyms

13 names · show all
  • 5′-Cytidylic acid
  • 5′-CMP
  • CMP
  • Cytidine 5′-monophosphate
  • Cytidine 5′-phosphate
  • Cytidine 5′-phosphoric acid
  • Cytidylic acid
  • Cytidine, mono(dihydrogen phosphate) (ester)
  • Cytidine 5′-monophosphoric acid
  • Cytidine 5′-(dihydrogen phosphate)
  • CMP (nucleotide)
  • Cytosine 5′-monophosphate
  • 5'-Cytidylic acid

Work with Cytidine 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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Poly(I:C)24939-03-5Salt Disodium 5′-cytidylate6757-06-8Salt Polycytidylic acid30811-80-4

Similar compounds

5′-CTP65-47-481 % similar Cytidine-5′-triphosphate disodium salt36051-68-074 % similar Cytidine-5′-triphosphate sodium salt18423-42-272 % similar 2′-Deoxycytidine-5′-monophosphate1032-65-167 % similar Trisodium cytidine 5′-diphosphate34393-59-467 % similar Uridine monophosphate58-97-967 % similar Cytarabine147-94-466 % similar Cytidine65-46-366 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3′-Cmp84-52-6 2′-Cytidylic acid85-94-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia