chempirical

Sapacitabine

C26H42N4O5CAS 151823-14-2490.65 g/mol

Open in Covalent MOL file
ONNOHOHONHON
AlcoholEtherNitrilePhenol

Properties

Molecular formula
C26H42N4O5
Molar mass
490.65 g/mol
Exact mass
490.3155 Da
logP
3.89Crippen estimate
Polar surface area
141.0 Ų
H-bond donors / acceptors
3 / 7
Rotatable bonds
16
Stereocentres
R, R, S, Sin SMILES atom order

Identifiers

CAS number
151823-14-2
SMILES
CCCCCCCCCCCCCCCC(=O)N=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2C#N)c(O)n1
InChIKey
LBGFKUUHOPIEMA-PEARBKPGSA-N
InChI
InChI=1S/C26H42N4O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23(32)28-22-16-17-30(26(34)29-22)25-20(18-27)24(33)21(19-31)35-25/h16-17,20-21,24-25,31,33H,2-15,19H2,1H3,(H,28,29,32,34)/t20-,21+,24-,25+/m0/s1

Weigh it out

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

Names and synonyms

4 names
  • Hexadecanamide, N-[1-(2-cyano-2-deoxy-β-D-arabinofuranosyl)-1,2-dihydro-2-oxo-4-pyrimidinyl]-
  • N-[1-(2-Cyano-2-deoxy-β-D-arabinofuranosyl)-1,2-dihydro-2-oxo-4-pyrimidinyl]hexadecanamide
  • CS 682
  • CYC 682

Work with Sapacitabine

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

Enocitabine55726-47-182 % similar N-Benzoylcytidine13089-48-054 % similar N4-Benzoyl-2′-deoxycytidine4836-13-942 % similar Cytarabine147-94-441 % similar Cytidine65-46-341 % similar 2′-O-Methylcytidine2140-72-940 % similar Cytarabine hydrochloride69-74-939 % similar 3′-Cmp84-52-639 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook