chempirical

Nebularine

C10H12N4O4CAS 550-33-4252.23 g/mol

Open in Covalent MOL file
OHONNNNOHHO
AlcoholEther

Properties

Molecular formula
C10H12N4O4
Molar mass
252.23 g/mol
Exact mass
252.0859 Da
Melting point
181 °C
logP
-1.56Crippen estimate
Polar surface area
113.5 Ų
H-bond donors / acceptors
3 / 7
Rotatable bonds
2
Stereocentres
R, R, R, Sin SMILES atom order

Identifiers

CAS number
550-33-4
SMILES
OC[C@H]1O[C@@H](n2cnc3cncnc32)[C@H](O)[C@@H]1O
InChIKey
MRWXACSTFXYYMV-FDDDBJFASA-N
InChI
InChI=1S/C10H12N4O4/c15-2-6-7(16)8(17)10(18-6)14-4-13-5-1-11-3-12-9(5)14/h1,3-4,6-8,10,15-17H,2H2/t6-,7-,8-,10-/m1/s1

Weigh it out

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

Names and synonyms

11 names
  • 9H-Purine, 9-β-D-ribofuranosyl-
  • Purine riboside
  • 9-β-D-Ribofuranosyl-9H-purine
  • Ribosylpurine
  • 9-β-D-Ribofuranosylpurine
  • NSC 65423
  • Isopurine, ribosyl-
  • Purinosine
  • Purine-9-β-D-ribofuranoside
  • 9-β-D-Ribosyl-9H-purine
  • Desaminoadenosine

Work with Nebularine

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

Vidarabine5536-17-462 % similar Adenosine58-61-762 % similar Inosine58-63-962 % similar 6-Chloro-9-ribofuranosyl-9H-purine2004-06-061 % similar 6-Chloropurine riboside5399-87-161 % similar N6-Methyladenosine1867-73-860 % similar N6-Dimethyladenosine2620-62-457 % similar 2-Aminopurine riboside4546-54-757 % similar

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

Same formula

Deoxyinosine890-38-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook