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5979-01-1

5979-01-1 | XANTHOPTERIN MONOHYDRATE

CAS No: 5979-01-1 Catalog No: AG003VC2 MDL No:MFCD00151242

Product Description

Catalog Number:
AG003VC2
Chemical Name:
XANTHOPTERIN MONOHYDRATE
CAS Number:
5979-01-1
MDL Number:
MFCD00151242
IUPAC Name:
2-amino-3,5-dihydropteridine-4,6-dione;hydrate
InChI:
InChI=1S/C6H5N5O2.H2O/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);1H2
InChI Key:
GXYCFNCAIXIUMR-UHFFFAOYSA-N
EC Number:
611-886-9

Properties

Complexity:
392  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.055g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
197.154g/mol
Monoisotopic Mass:
197.055g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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