Home Aminos 6H-Purin-6-one, 2-amino-9-(2-deoxy-α-D-erythro-pentofuranosyl)-1,9-dihydro-

6H-Purin-6-one, 2-amino-9-(2-deoxy-α-D-erythro-pentofuranosyl)-1,9-dihydro-

CAS No.:
19916-78-0
Catalog Number:
AG002BXF
Molecular Formula:
C10H13N5O4
Molecular Weight:
267.2413
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Product Description
Catalog Number:
AG002BXF
Chemical Name:
6H-Purin-6-one, 2-amino-9-(2-deoxy-α-D-erythro-pentofuranosyl)-1,9-dihydro-
CAS Number:
19916-78-0
Molecular Formula:
C10H13N5O4
Molecular Weight:
267.2413
MDL Number:
MFCD23701434
IUPAC Name:
2-amino-9-[(2R,4S,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
InChI:
InChI=1S/C10H13N5O4/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H3,11,13,14,18)/t4-,5-,6+/m0/s1
InChI Key:
YKBGVTZYEHREMT-HCWXCVPCSA-N
SMILES:
OC[C@H]1O[C@@H](C[C@@H]1O)n1cnc2c1nc(N)[nH]c2=O
Properties
Complexity:
417  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
267.097g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
6  
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:
135A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9  
Properties