chempirical

Vicine

C10H16N4O7CAS 152-93-2304.26 g/mol

Open in Covalent MOL file
NHNOHOOHOHOHOOHH2NNH
AcetalAlcoholEtherPhenolPrimary amine

Properties

Molecular formula
C10H16N4O7
Molar mass
304.26 g/mol
Exact mass
304.1019 Da
Melting point
240.5 °C (decomposes)
logP
-3.64Crippen estimate
Polar surface area
198.2 Ų
H-bond donors / acceptors
8 / 10
Rotatable bonds
3
Stereocentres
S, R, S, S, Rin SMILES atom order

Identifiers

CAS number
152-93-2
SMILES
N=c1nc(O)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(N)[nH]1
InChIKey
KGNGTSCIQCLKEH-SYCVNHKBSA-N
InChI
InChI=1S/C10H16N4O7/c11-7-6(8(19)14-10(12)13-7)21-9-5(18)4(17)3(16)2(1-15)20-9/h2-5,9,15-18H,1H2,(H5,11,12,13,14,19)/t2-,3-,4+,5-,9+/m1/s1

Weigh it out

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

Names and synonyms

5 names
  • 4(1H)-Pyrimidinone, 2,6-diamino-5-(β-D-glucopyranosyloxy)-
  • 2,6-Diamino-5-(β-D-glucopyranosyloxy)-4(1H)-pyrimidinone
  • Divicine β-D-glucopyranoside
  • Vicioside
  • NSC 95092

Work with Vicine

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

2-Aminoadenosine2096-10-850 % similar Guanosine118-00-348 % similar 9-β-D-Arabinofuranosylguanine38819-10-248 % similar Guanosine85-30-348 % similar 8-Bromoguanosine4016-63-145 % similar 7-Methylguanosine20244-86-444 % similar 2-Amino-9-(2-deoxy-2-fluoro-β-D-arabinofuranosyl)-1,9-dihydro-6H-purin-6-one103884-98-643 % similar Arbutin497-76-743 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia