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

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
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