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93423-03-1

93423-03-1 | 3-Pentene-1,2-diol, 3-methyl-5-(1H-purin-6-ylamino)-, (E)-

CAS No: 93423-03-1 Catalog No: AG006FXY MDL No:

Product Description

Catalog Number:
AG006FXY
Chemical Name:
3-Pentene-1,2-diol, 3-methyl-5-(1H-purin-6-ylamino)-, (E)-
CAS Number:
93423-03-1
Molecular Formula:
C11H15N5O2
Molecular Weight:
249.2691
IUPAC Name:
3-methyl-5-(7H-purin-6-ylamino)pent-3-ene-1,2-diol
InChI:
InChI=1S/C11H15N5O2/c1-7(8(18)4-17)2-3-12-10-9-11(14-5-13-9)16-6-15-10/h2,5-6,8,17-18H,3-4H2,1H3,(H2,12,13,14,15,16)
InChI Key:
WOSLPLGSYMYPKV-UHFFFAOYSA-N
SMILES:
OCC(/C(=C/CNc1[nH]cnc2c1ncn2)/C)O

Properties

Complexity:
299  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.123g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
249.274g/mol
Monoisotopic Mass:
249.123g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
1  
XLogP3:
0

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