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Substance Name: Vicine
RN: 152-93-2
UNII: COL14PJW3X
InChIKey: KGNGTSCIQCLKEH-SYCVNHKBSA-N

Note

  • Pyrimidine glycoside found in fava bean.

Molecular Formula

  • C10-H16-N4-O7

Molecular Weight

  • 304.257
 
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Names and Synonyms

Name of Substance

  • Vicine

Synonyms

  • Divicine, 5-beta-D-glucopyranoside (VAN)
  • EINECS 205-809-4
  • Glucopyranoside, divicine-5, beta-D-
  • NSC 95092
  • UNII-COL14PJW3X
  • Vicine

Systematic Names

  • 2,6-Diamino-5-(beta-D-glucopyranosyloxy)-(1H)-pyrimidin-4-one
  • 2,6-Diamino-5-(beta-D-glucopyranosyloxy)-4(1H)-pyrimidinone
  • 4(1H)-Pyrimidinone, 2,6-diamino-5-(beta-D-glucopyranosyloxy)- (9CI)
  • Vicine (VAN) (8CI)

Registry Numbers

CAS Registry Number

  • 152-93-2

FDA UNII

  • COL14PJW3X

System Generated Number

  • 0000152932

Structure Descriptors

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

InChIKey

KGNGTSCIQCLKEH-SYCVNHKBSA-N

Smiles

O=c1nc(N)[nH]c(N)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]1O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 240.5 dec deg C   EXP
log P (octanol-water) -5.220 (none)   EST
Water Solubility 1.00E+04 mg/L   EXP
Atmospheric OH Rate Constant 1.28E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.