CID 40454699
PubChem CID
40454699
Structure
Molecular Formula
Status
Non-live
Molecular Weight
354.4 g/mol
Dates
- Create:2009-05-30
Chemical Structure Depiction
bis[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]azanium
InChI=1S/C18H21F2NO4/c19-13-1-5-17(6-2-13)24-11-15(22)9-21-10-16(23)12-25-18-7-3-14(20)4-8-18/h1-8,15-16,21-23H,9-12H2/p+1/t15-,16-/m0/s1
KOUUOIJBCMFWOR-HOTGVXAUSA-O
C1=CC(=CC=C1OC[C@H](C[NH2+]C[C@@H](COC2=CC=C(C=C2)F)O)O)F
C18H22F2NO4+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
354.4 g/mol
Property Name
XLogP3
Property Value
2.7
Property Name
Hydrogen Bond Donor Count
Property Value
3
Property Name
Hydrogen Bond Acceptor Count
Property Value
6
Property Name
Rotatable Bond Count
Property Value
10
Property Name
Exact Mass
Property Value
354.15168951 g/mol
Property Name
Monoisotopic Mass
Property Value
354.15168951 g/mol
Property Name
Topological Polar Surface Area
Property Value
75.5 A^2
Property Name
Heavy Atom Count
Property Value
25
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
316
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
2
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