chempirical

Tubercidin

C11H14N4O4CAS 69-33-0266.26 g/mol

Open in Covalent MOL file
H2NNNNOOHOHHO
AlcoholEtherPrimary amine

Properties

Molecular formula
C11H14N4O4
Molar mass
266.26 g/mol
Exact mass
266.1015 Da
Melting point
247–248 °C (decomposes)
logP
-1.38Crippen estimate
Polar surface area
126.7 Ų
H-bond donors / acceptors
4 / 7
Rotatable bonds
2
Stereocentres
R, R, S, Rin SMILES atom order

Hazards

Danger
Acute Toxic (GHS06)

Aggregated from 70 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P316, P321, P330, P405, P501

Identifiers

CAS number
69-33-0
SMILES
Nc1ncnc2c1ccn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InChIKey
HDZZVAMISRMYHH-KCGFPETGSA-N
InChI
InChI=1S/C11H14N4O4/c12-9-5-1-2-15(10(5)14-4-13-9)11-8(18)7(17)6(3-16)19-11/h1-2,4,6-8,11,16-18H,3H2,(H2,12,13,14)/t6-,7-,8-,11-/m1/s1

Weigh it out

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

Names and synonyms

15 names · show all
  • 7H-Pyrrolo[2,3-d]pyrimidin-4-amine, 7-β-D-ribofuranosyl-
  • 7H-Pyrrolo[2,3-d]pyrimidine, 4-amino-7-β-D-ribofuranosyl-
  • 7-β-D-Ribofuranosyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
  • Adenosine, 7-deaza-
  • 7-Deazaadenosine
  • Sparsomycin A
  • Tubercidine
  • U 10071
  • 6-Amino-9-D-ribofuranosyl-7-desazapurine
  • NSC 56408
  • 4-Amino-7-(β-D-ribofuranosyl)pyrrolo[2,3-d]pyrimidine
  • Antibiotic XK 101-1
  • N7-Deazaadenosine
  • Sparsamycin A
  • NQZ-003

Work with Tubercidin

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

Vidarabine5536-17-468 % similar Adenosine58-61-768 % similar 5-Iodotubercidin24386-93-462 % similar 8-Bromoadenosine2946-39-656 % similar (2R,3R,4S,5R)-5-(6-Amino-9H-purin-9-yl)-4-fluoro-2-(hydroxymethyl)tetrahydrofuran-3-ol20227-41-254 % similar 2'-Fluoro-2'-deoxyadenosine64183-27-354 % similar 3'-Fluoro-3'-deoxyadenosine75059-22-254 % similar 3′-O-Methyladenosine10300-22-853 % similar

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

Same formula

6-Methylpurine riboside14675-48-0 Doxofylline69975-86-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook