chempirical

Nelarabine

C11H15N5O5CAS 121032-29-9297.27 g/mol

Open in Covalent MOL file
ONNHNHNNOOHOHHO
AlcoholEther

Properties

Molecular formula
C11H15N5O5
Molar mass
297.27 g/mol
Exact mass
297.1073 Da
Melting point
208–210 °C
logP
-2.14Crippen estimate
Polar surface area
149.5 Ų
H-bond donors / acceptors
5 / 8
Rotatable bonds
3
Stereocentres
R, R, S, Sin SMILES atom order

Identifiers

CAS number
121032-29-9
SMILES
COc1nc(=N)[nH]c2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O
InChIKey
IXOXBSCIXZEQEQ-UHTZMRCNSA-N
InChI
InChI=1S/C11H15N5O5/c1-20-9-5-8(14-11(12)15-9)16(3-13-5)10-7(19)6(18)4(2-17)21-10/h3-4,6-7,10,17-19H,2H2,1H3,(H2,12,14,15)/t4-,6-,7+,10-/m1/s1

Weigh it out

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

Names and synonyms

8 names
  • 9H-Purin-2-amine, 9-β-D-arabinofuranosyl-6-methoxy-
  • 9-β-D-Arabinofuranosyl-6-methoxy-9H-purin-2-amine
  • 506u
  • Nelzarabine
  • MAY
  • GW 506U78
  • Arranon
  • Atriance

Work with Nelarabine

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

Guanosine118-00-376 % similar 9-β-D-Arabinofuranosylguanine38819-10-276 % similar Guanosine85-30-376 % similar Thioguanosine85-31-473 % similar 2-Amino-9-(2-deoxy-2-fluoro-β-D-arabinofuranosyl)-1,9-dihydro-6H-purin-6-one103884-98-663 % similar 3′-Deoxy-3′-fluoroguanosine123402-21-163 % similar 2-Amino-6-chloropurine riboside2004-07-161 % similar 2-Aminoadenosine2096-10-861 % similar

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

Same formula

3′-O-Methylguanosine10300-27-3 1-Methylguanosine2140-65-0 2′-O-Methylguanosine2140-71-8 N2-Methylguanosine2140-77-4 2′-C-Methylguanosine374750-30-8 9-[[2-(Acetyloxy)-1-(hydroxymethyl)ethoxy]methyl]-2-amino-1,9-dihydro-6H-purin-6-one88110-89-8

Elsewhere

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