152-93-2

Name 2,6-diamino-5-(beta-D-glucopyranosyloxy)-(1H)-pyrimidin-4-one
CAS 152-93-2
EINECS(EC#) 205-809-4
Molecular Formula C10H16N4O7
MDL Number MFCD00270447
Molecular Weight 304.257
MOL File 152-93-2.mol
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Chemical Properties

Melting point  242-244℃
alpha  D26 -11.7° (c = 3.9 in 0.2N NaOH)
Boiling point  445.09°C (rough estimate)
density  2.18
refractive index  1.6200 (estimate)
solubility  Aqueous Base (Slightly), DMSO (Slightly), Methanol (Slightly, Heated, Sonicated)
form  neat
pka 9.56±0.50(Predicted)
color  White to off-white
BRN  44407
Stability: Hygroscopic
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[C@@H]1[C@@H](O)[C@H](OC2=C(N)NC(N)=NC2=O)O[C@H](CO)[C@H]1O

Safety Data

WGK Germany  3
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral

Hazard Information

Spectrum Detail

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