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Vicine

CAT: 1410-M21486-02Size: 1 mL x 10 mM in DMSODry Ice: NoHazardous: No
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CAT#:1410-M21486-02Size:1 mL x 10 mM in DMSO
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Vicine an alkaloid found in fava beans is toxic in individuals and may cause haemolytic anaemia.
CAS Number
152-93-2
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
304.26
Molecular Formula
C10H16N4O7
Notes
Research use only, not for human use.
Receptor
Others

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...
View on PubChemRaw 3D data
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

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CatalogName
M32164-01Vicinin 2

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TRC-V250019-1MGVicine-13C,15N3

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