CID 39364922
PubChem CID
39364922
Structure
Molecular Formula
Status
Non-live
Molecular Weight
266.40 g/mol
Dates
- Create:2009-05-29
Chemical Structure Depiction
[(2R)-butan-2-yl]-[(2R)-2-hydroxy-3-(2,4,5-trimethylphenoxy)propyl]azanium
InChI=1S/C16H27NO2/c1-6-14(5)17-9-15(18)10-19-16-8-12(3)11(2)7-13(16)4/h7-8,14-15,17-18H,6,9-10H2,1-5H3/p+1/t14-,15-/m1/s1
JFNKEWXPKGHXOD-HUUCEWRRSA-O
CC[C@@H](C)[NH2+]C[C@H](COC1=C(C=C(C(=C1)C)C)C)O
C16H28NO2+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
266.40 g/mol
Property Name
XLogP3-AA
Property Value
3.3
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Property Name
Rotatable Bond Count
Property Value
7
Property Name
Exact Mass
Property Value
266.212004136 g/mol
Property Name
Monoisotopic Mass
Property Value
266.212004136 g/mol
Property Name
Topological Polar Surface Area
Property Value
46.1 A^2
Property Name
Heavy Atom Count
Property Value
19
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
247
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