CID 34064825
PubChem CID
34064825
Structure
Molecular Formula
Status
Non-live
Molecular Weight
314.4 g/mol
Dates
- Create:2009-05-29
Chemical Structure Depiction
[(2R)-2-hydroxy-3-(2,3,5-trimethylphenoxy)propyl]-[(1R)-1-phenylethyl]azanium
InChI=1S/C20H27NO2/c1-14-10-15(2)16(3)20(11-14)23-13-19(22)12-21-17(4)18-8-6-5-7-9-18/h5-11,17,19,21-22H,12-13H2,1-4H3/p+1/t17-,19-/m1/s1
ROYMQBASQYKUEP-IEBWSBKVSA-O
CC1=CC(=C(C(=C1)OC[C@@H](C[NH2+][C@H](C)C2=CC=CC=C2)O)C)C
C20H28NO2+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
314.4 g/mol
Property Name
XLogP3-AA
Property Value
3.8
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
314.212004136 g/mol
Property Name
Monoisotopic Mass
Property Value
314.212004136 g/mol
Property Name
Topological Polar Surface Area
Property Value
46.1 A^2
Property Name
Heavy Atom Count
Property Value
23
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
330
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
Old substance
CONTENTS