CID 22456952
PubChem CID
22456952
Structure
Molecular Formula
Status
Non-live
Molecular Weight
378.31 g/mol
Dates
- Create:2007-12-05
Chemical Structure Depiction
4-acetamido-5-amino-3-pentan-3-yloxycyclohexene-1-carboxylate;phosphate
InChI=1S/C14H24N2O4.H3O4P/c1-4-10(5-2)20-12-7-9(14(18)19)6-11(15)13(12)16-8(3)17;1-5(2,3)4/h7,10-13H,4-6,15H2,1-3H3,(H,16,17)(H,18,19);(H3,1,2,3,4)/p-4
FYGVFKSSNUVHKC-UHFFFAOYSA-J
CCC(CC)OC1C=C(CC(C1NC(=O)C)N)C(=O)[O-].[O-]P(=O)([O-])[O-]
C14H23N2O8P-4
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
378.31 g/mol
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
9
Property Name
Rotatable Bond Count
Property Value
5
Property Name
Exact Mass
Property Value
378.11920269 g/mol
Property Name
Monoisotopic Mass
Property Value
378.11920269 g/mol
Property Name
Topological Polar Surface Area
Property Value
191A^2
Property Name
Heavy Atom Count
Property Value
25
Property Name
Formal Charge
Property Value
-4
Property Name
Complexity
Property Value
422
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
3
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
CONTENTS