CID 253640
PubChem CID
253640
Structure
Preferred Compound
Molecular Formula
Status
Non-live
Molecular Weight
351.31 g/mol
Dates
- Create:2005-03-26
Chemical Structure Depiction
[3-acetyloxy-5-(2-amino-6-oxo-3H-purin-9-yl)oxolan-2-yl]methyl acetate
InChI=1S/C14H17N5O6/c1-6(20)23-4-9-8(24-7(2)21)3-10(25-9)19-5-16-11-12(19)17-14(15)18-13(11)22/h5,8-10H,3-4H2,1-2H3,(H3,15,17,18,22)
QZGYRDUIRRZJHS-UHFFFAOYSA-N
CC(=O)OCC1C(CC(O1)N2C=NC3=C2NC(=NC3=O)N)OC(=O)C
C14H17N5O6
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
351.31 g/mol
Property Name
XLogP3
Property Value
-0.5
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
7
Property Name
Rotatable Bond Count
Property Value
6
Property Name
Exact Mass
Property Value
351.11788328 g/mol
Property Name
Monoisotopic Mass
Property Value
351.11788328 g/mol
Property Name
Topological Polar Surface Area
Property Value
147 A^2
Property Name
Heavy Atom Count
Property Value
25
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
611
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
Property Name
Undefined Atom Stereocenter Count
Property Value
3
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
Old substance
Old substance
Old substance
Old substance
Old substance
Old substance
Old substance
Old substance
CONTENTS