CID 40884869
PubChem CID
40884869
Structure
Molecular Formula
Status
Non-live
Molecular Weight
446.4 g/mol
Dates
- Create:2009-05-30
Chemical Structure Depiction
2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaene-11,24-dicarboxylate
InChI=1S/C22H24O10/c23-21(24)15-1-3-17-19(13-15)31-11-7-28-6-10-30-18-4-2-16(22(25)26)14-20(18)32-12-8-27-5-9-29-17/h1-4,13-14H,5-12H2,(H,23,24)(H,25,26)/p-2
VFENAQUOQTTXDM-UHFFFAOYSA-L
C1COC2=C(C=C(C=C2)C(=O)[O-])OCCOCCOC3=C(C=C(C=C3)C(=O)[O-])OCCO1
C22H22O10-2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
446.4 g/mol
Property Name
XLogP3
Property Value
2.5
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
10
Property Name
Rotatable Bond Count
Property Value
0
Property Name
Exact Mass
Property Value
446.12129689 g/mol
Property Name
Monoisotopic Mass
Property Value
446.12129689 g/mol
Property Name
Topological Polar Surface Area
Property Value
136 A^2
Property Name
Heavy Atom Count
Property Value
32
Property Name
Formal Charge
Property Value
-2
Property Name
Complexity
Property Value
524
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
1
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
Old substance
Old substance
CONTENTS