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92574-85-1

92574-85-1 | 2-(2-amino-3,4,7,9-tetrazabicyclo[4.3.0]nona-1,3,5,7-tetraen-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol

CAS No: 92574-85-1 Catalog No: AG006GMW MDL No:

Product Description

Catalog Number:
AG006GMW
Chemical Name:
2-(2-amino-3,4,7,9-tetrazabicyclo[4.3.0]nona-1,3,5,7-tetraen-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CAS Number:
92574-85-1
Molecular Formula:
C10H13N5O4
Molecular Weight:
267.2413
IUPAC Name:
2-(4-aminoimidazo[4,5-d]pyridazin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol
InChI:
InChI=1S/C10H13N5O4/c11-9-6-4(1-13-14-9)12-3-15(6)10-8(18)7(17)5(2-16)19-10/h1,3,5,7-8,10,16-18H,2H2,(H2,11,14)
InChI Key:
RCUNKSDQDSUMGH-UHFFFAOYSA-N
SMILES:
OCC1OC(C(C1O)O)n1cnc2c1c(N)nnc2
NSC Number:
520372

Properties

Complexity:
335  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.097g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
267.245g/mol
Monoisotopic Mass:
267.097g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
140A^2
Undefined Atom Stereocenter Count:
4  
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.6  

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