CID 5281141
PubChem CID
5281141
Structure
Preferred Compound
Molecular Formula
Status
Non-live
Molecular Weight
283.24 g/mol
Dates
- Create:2005-06-24
Chemical Structure Depiction
(2R,3R,4S,5R)-2-(6-amino-2-hydroxypurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
InChI=1S/C10H13N5O5/c11-7-4-8(14-10(19)13-7)15(2-12-4)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19)/t3-,5-,6-,9-/m1/s1
MIKUYHXYGGJMLM-UUOKFMHZSA-N
Isomeric SMILES
C1=NC2=C(N=C(N=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)O)N
C10H13N5O5
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
283.24 g/mol
Property Name
XLogP3
Property Value
-1.1
Property Name
Hydrogen Bond Donor Count
Property Value
5
Property Name
Hydrogen Bond Acceptor Count
Property Value
9
Property Name
Rotatable Bond Count
Property Value
2
Property Name
Exact Mass
Property Value
283.09166853 g/mol
Property Name
Monoisotopic Mass
Property Value
283.09166853 g/mol
Property Name
Topological Polar Surface Area
Property Value
160A^2
Property Name
Heavy Atom Count
Property Value
20
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
363
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
4
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
1
Property Name
Compound Is Canonicalized
Property Value
Yes
CONTENTS