CID 21197474
PubChem CID
21197474
Structure
Molecular Formula
Status
Non-live
Molecular Weight
310.45 g/mol
Dates
- Create:2007-12-05
Chemical Structure Depiction
tetradecan-1-ol;sulfate
InChI=1S/C14H30O.H2O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15;1-5(2,3)4/h15H,2-14H2,1H3;(H2,1,2,3,4)/p-2
QDCNZEXIIVAQDN-UHFFFAOYSA-L
Isomeric SMILES
CCCCCCCCCCCCCCO.[O-]S(=O)(=O)[O-]
C14H30O5S-2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
310.45 g/mol
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
5
Property Name
Rotatable Bond Count
Property Value
12
Property Name
Exact Mass
Property Value
310.18139523 g/mol
Property Name
Monoisotopic Mass
Property Value
310.18139523 g/mol
Property Name
Topological Polar Surface Area
Property Value
109A^2
Property Name
Heavy Atom Count
Property Value
20
Property Name
Formal Charge
Property Value
-2
Property Name
Complexity
Property Value
164
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
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
2
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
Old substance
Old substance
CONTENTS