CID 39368138
PubChem CID
39368138
Structure
Molecular Formula
Status
Non-live
Molecular Weight
270.34 g/mol
Dates
- Create:2009-05-29
Chemical Structure Depiction
[(2R)-3-(2,3-dimethoxyphenoxy)-2-hydroxypropyl]-propylazanium
InChI=1S/C14H23NO4/c1-4-8-15-9-11(16)10-19-13-7-5-6-12(17-2)14(13)18-3/h5-7,11,15-16H,4,8-10H2,1-3H3/p+1/t11-/m1/s1
MBDIXAFNZAFCDG-LLVKDONJSA-O
CCC[NH2+]C[C@H](COC1=CC=CC(=C1OC)OC)O
C14H24NO4+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
270.34 g/mol
Property Name
XLogP3
Property Value
1.8
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
9
Property Name
Exact Mass
Property Value
270.17053325 g/mol
Property Name
Monoisotopic Mass
Property Value
270.17053325 g/mol
Property Name
Topological Polar Surface Area
Property Value
64.5 A^2
Property Name
Heavy Atom Count
Property Value
19
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
227
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
1
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
Old substance
CONTENTS