CID 51696346
PubChem CID
51696346
Structure
Molecular Formula
Status
Non-live
Molecular Weight
363.27 g/mol
Dates
- Create:2011-05-20
Chemical Structure Depiction
[(2S)-3-(2-bromophenoxy)-2-hydroxypropyl]-bis[(2S)-2-hydroxypropyl]azanium
InChI=1S/C15H24BrNO4/c1-11(18)7-17(8-12(2)19)9-13(20)10-21-15-6-4-3-5-14(15)16/h3-6,11-13,18-20H,7-10H2,1-2H3/p+1/t11-,12-,13-/m0/s1
UACNSABIGZXIHA-AVGNSLFASA-O
C[C@@H](C[NH+](C[C@H](C)O)C[C@@H](COC1=CC=CC=C1Br)O)O
C15H25BrNO4+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
363.27 g/mol
Property Name
XLogP3-AA
Property Value
1.5
Property Name
Hydrogen Bond Donor Count
Property Value
4
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
9
Property Name
Exact Mass
Property Value
362.09670 g/mol
Property Name
Monoisotopic Mass
Property Value
362.09670 g/mol
Property Name
Topological Polar Surface Area
Property Value
74.4 A^2
Property Name
Heavy Atom Count
Property Value
21
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
272
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
3
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