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145514-04-1

145514-04-1 | 1,3-Dioxolane-2-methanol, 4-(2,6-diamino-9H-purin-9-yl)-, (2R,4R)-

CAS No: 145514-04-1 Catalog No: AG001D4P MDL No:

Product Description

Catalog Number:
AG001D4P
Chemical Name:
1,3-Dioxolane-2-methanol, 4-(2,6-diamino-9H-purin-9-yl)-, (2R,4R)-
CAS Number:
145514-04-1
Molecular Formula:
C9H12N6O3
Molecular Weight:
252.2300
IUPAC Name:
[(2R,4R)-4-(2,6-diaminopurin-9-yl)-1,3-dioxolan-2-yl]methanol
InChI:
InChI=1S/C9H12N6O3/c10-7-6-8(14-9(11)13-7)15(3-12-6)4-2-17-5(1-16)18-4/h3-5,16H,1-2H2,(H4,10,11,13,14)/t4-,5-/m1/s1
InChI Key:
RLAHNGKRJJEIJL-RFZPGFLSSA-N
SMILES:
OC[C@@H]1OC[C@@H](O1)n1cnc2c1nc(N)nc2N
UNII:
54I81H0M9C

Properties

Complexity:
308  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
252.097g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
252.234g/mol
Monoisotopic Mass:
252.097g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
134A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2  

Literature

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