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Home > Other Heterocycles > 42204-36-4
42204-36-4 | 2-(5-hydrazinyl-2,4,9-triazabicyclo[4.3.0]nona-1,3,5,7-tetraen-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CAS No: 42204-36-4 Catalog No: AG007385 MDL No:
Product Description
Catalog Number:
AG007385
Chemical Name:
2-(5-hydrazinyl-2,4,9-triazabicyclo[4.3.0]nona-1,3,5,7-tetraen-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CAS Number:
42204-36-4
Molecular Formula:
C11H15N5O4
Molecular Weight:
281.2679
IUPAC Name:
2-(4-hydrazinylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
InChI:
InChI=1S/C11H15N5O4/c12-15-9-5-1-2-16(10(5)14-4-13-9)11-8(19)7(18)6(3-17)20-11/h1-2,4,6-8,11,17-19H,3,12H2,(H,13,14,15)
InChI Key:
AURFZFSFOHBPNJ-UHFFFAOYSA-N
SMILES:
OCC1OC(C(C1O)O)n1ccc2c1ncnc2NN
NSC Number:
111360
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.112g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
281.272g/mol
Monoisotopic Mass:
281.112g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
139A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4
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