Enocitabine

C31H55N3O6CAS 55726-47-1565.80 g/mol

Open in Covalent MOL file
ONNOHOHOHOHON
AlcoholEtherPhenol

Properties

Molecular formula
C31H55N3O6
Molar mass
565.80 g/mol
Exact mass
565.4091 Da
Melting point
141–142 °C
logP
5.45Crippen estimate
Polar surface area
137.4 Ų
H-bond donors / acceptors
4 / 7
Rotatable bonds
22
Stereocentres
R, R, S, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

Search the SDS library

Identifiers

CAS number
55726-47-1
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)N=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(O)n1
InChIKey
SAMRUMKYXPVKPA-VFKOLLTISA-N
InChI
InChI=1S/C31H55N3O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(36)32-26-22-23-34(31(39)33-26)30-29(38)28(37)25(24-35)40-30/h22-23,25,28-30,35,37-38H,2-21,24H2,1H3,(H,32,33,36,39)/t25-,28-,29+,30-/m1/s1

Weigh it out

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

Names and synonyms

9 names
  • Docosanamide, N-(1-β-D-arabinofuranosyl-1,2-dihydro-2-oxo-4-pyrimidinyl)-
  • N-(1-β-D-Arabinofuranosyl-1,2-dihydro-2-oxo-4-pyrimidinyl)docosanamide
  • N4-Behenoyl-1-β-D-arabinofuranosylcytosine
  • Behenoylcytosine arabinoside
  • N4-Behenoylcytosine arabinoside
  • NSC 239336
  • Sunrabin
  • BH-AC
  • N4-Behenoyl-ara-C

Work with Enocitabine

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

Sapacitabine151823-14-282 % similar N-Benzoylcytidine13089-48-064 % similar Cytarabine147-94-452 % similar Cytidine65-46-352 % similar Cytarabine hydrochloride69-74-949 % similar Cytidine, sulfate (salt)32747-18-548 % similar Azacytidine320-67-245 % similar Uracil arabinoside3083-77-045 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook