chempirical

Fludarabine phosphate

C10H13FN5O7PCAS 75607-67-9365.21 g/mol

Open in Covalent MOL file
H2NNFNNNOOPOOHHOOHHO
AlcoholAryl halideEtherPhosphatePrimary amine

Properties

Molecular formula
C10H13FN5O7P
Molar mass
365.21 g/mol
Exact mass
365.0537 Da
logP
-1.72Crippen estimate
Polar surface area
186.1 Ų
H-bond donors / acceptors
5 / 9
Rotatable bonds
4
Stereocentres
R, R, S, Sin SMILES atom order

Identifiers

CAS number
75607-67-9
SMILES
Nc1nc(F)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]1O
InChIKey
GIUYCYHIANZCFB-FJFJXFQQSA-N
InChI
InChI=1S/C10H13FN5O7P/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(18)5(17)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,17-18H,1H2,(H2,12,14,15)(H2,19,20,21)/t3-,5-,6+,9-/m1/s1

Weigh it out

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

Names and synonyms

11 names
  • 9H-Purin-6-amine, 2-fluoro-9-(5-O-phosphono-β-D-arabinofuranosyl)-
  • 2-Fluoro-9-(5-O-phosphono-β-D-arabinofuranosyl)-9H-purin-6-amine
  • NSC 312887
  • NSC 328002
  • Fludara
  • Fludarabine 5′-monophosphate
  • 2-Fluoroadenine arabinoside 5′-monophosphate
  • FAMP
  • Fludura
  • 2-F-Ara-AMP
  • Fludarabine 5′-dihydrogen phosphate

Work with Fludarabine phosphate

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

Vidarabine phosphate29984-33-673 % similar Adenosine monophosphate61-19-873 % similar 2-Fluoroadenosine146-78-169 % similar Fludarabine21679-14-169 % similar Inosinic acid131-99-762 % similar Polyinosinic acid30918-54-862 % similar Adenosine diphosphate58-64-061 % similar Adenosine triphosphate56-65-559 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook