2(1H)-Pyrimidinone,4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-


Chemical Name: 2(1H)-Pyrimidinone,4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-
CAS Number: 134678-17-4
Product Number: AG003R7D(AGN-PC-0PKDCW)
Synonyms:
MDL No: MFCD00869739
Molecular Formula: C8H11N3O3S
Molecular Weight: 229.2562

Identification/Properties


Properties
MP:
177 °C
BP:
475.4°C at 760 mmHg
Storage:
Keep in dry area;-10 ℃;
Form:
Solid
Refractive Index:
-142 ° (C=1, MeOH)
Solubility:
water: soluble10mg/mL, clear
Computed Properties
Molecular Weight:
229.254g/mol
XLogP3:
-0.9
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
229.052g/mol
Monoisotopic Mass:
229.052g/mol
Topological Polar Surface Area:
113A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
331
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
2
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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