Yeast Extract

CAT: 1489-Y8020-02Size: 1 KgDry Ice: NoHazardous: No

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CAT#:1489-Y8020-02Size:1 Kg

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CAS Number

119-44-8

Chemical Information

Xanthopterin

2-amino-4,6-pteridinediol is a member of pterins.

CAS Number	119-44-8
PubChem CID	135403800
IUPAC Name	2-amino-3,5-dihydropteridine-4,6-dione
Molecular Formula	C6H5N5O2
Molecular Weight	179.14
XLogP	-2.1
Topological Polar Surface Area	109
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Heavy Atom Count	13
Formal Charge	0
Complexity	392

SMILES

C1=NC2=C(C(=O)NC(=N2)N)NC1=O

InChI

InChI=1S/C6H5N5O2/c7-6-10-4-3(5(13)11-6)9-2(12)1-8-4/h1H,(H,9,12)(H3,7,8,10,11,13)

InChIKey

VURKRJGMSKJIQX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 119-44-8

CID: 135403800

Formula: C6H5N5O2

MW: 179.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	179.14
XLogP3	-2.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	179.04432442
Monoisotopic Mass	179.04432442
Topological Polar Surface Area	109 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	392
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
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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Catalog	Name
A2540-1000000	Yeast Extract