Vicine

CAT: 0931-T8161-02Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0931-T8161-02Size:5 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

152-93-2

Target

Others, Drug Metabolite

Related Pathways

Others, Metabolism

Purity

>99.99%

Bioactivity

Polygalaxanthone XI is an xanthone glycoside isolated from the cortex of Polygala tenuifolia, which can be used in studies of expectorants and to promote psychostability.

Smiles

Nc1nc(=O)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(N)[nH]1

Molecular Formula

C10H16N4O7

Molecular Weight

304.26

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Vicine

Vicine is a glycoside.

CAS Number	152-93-2
PubChem CID	135413566
IUPAC Name	2,4-diamino-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-pyrimidin-6-one
Molecular Formula	C10H16N4O7
Molecular Weight	304.26
XLogP	-3.7
Topological Polar Surface Area	193
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	3
Heavy Atom Count	21
Formal Charge	0
Complexity	494

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

CAS: 152-93-2

CID: 135413566

Formula: C10H16N4O7

MW: 304.26

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	304.26
XLogP3	-3.7
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	3
Exact Mass	304.10189886
Monoisotopic Mass	304.10189886
Topological Polar Surface Area	193 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	494
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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TRP-00016	Vicia Villosa Lectin (Fluorescein)
TMPH-03706-01	LEB6 Protein, Vicia faba, Recombinant (His)

Alternative Products

Catalog	Name
HY-N2093-01	Vicine
HY-N2093R	Vicine (Standard)
TRC-V250019-1MG	Vicine-13C,15N3

Vicine

Chemical Information

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