Products for Research Use Only

Vicine

CAT: 0013-GTR19167254-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19167254-02Size:5 mg
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Description
Vicine
CAS Number
152-93-2
Product Name Alternative
Vicine, Inhibitor, inhibit
Field of Research
Metabolism Research
Purity
99.82% (May vary between batches)
Solubility
DMSO:22.5 mg/mL (73.95 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (6.57 mM)
Smiles
Nc1nc (N) c (O[C@@H]2O[C@H] (CO) [C@@H] (O) [C@H] (O) [C@H]2O) c (=O) [nH]1
Molecular Formula
C10H16N4O7
Molecular Weight
304.259
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Vicine

Vicine is a glycoside.

CAS Number152-93-2
PubChem CID135413566
IUPAC Name2,4-diamino-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-pyrimidin-6-one
Molecular FormulaC10H16N4O7
Molecular Weight304.26
XLogP-3.7
Topological Polar Surface Area193
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity494
SMILES
C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=C(N=C(NC2=O)N)N)O)O)O)O
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
InChIKey
KGNGTSCIQCLKEH-SYCVNHKBSA-N
Chemical Structure
2D Structure
2D structure of Vicine
CAS: 152-93-2
CID: 135413566
Formula: C10H16N4O7
MW: 304.26
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight304.26
XLogP3-3.7
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Exact Mass304.10189886
Monoisotopic Mass304.10189886
Topological Polar Surface Area193 Ų
Heavy Atom Count21
Formal Charge0
Complexity494
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes