An official website of the United States government

CID 20384710

PubChem CID
20384710
Structure
CID 20384710_small.png
Molecular Formula
Status
Non-live
Molecular Weight
574.6 g/mol
Dates
  • Create:
    2007-12-05

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 20384710.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

2,3-di(prop-2-enoyloxy)propyl prop-2-enoate;[3-hydroxy-2-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;propane-1,2,3-triol

2.1.2 InChI

InChI=1S/C12H14O6.C11H16O5.C3H8O3/c1-4-10(13)16-7-9(18-12(15)6-3)8-17-11(14)5-2;1-7(2)10(13)15-6-9(5-12)16-11(14)8(3)4;4-1-3(6)2-5/h4-6,9H,1-3,7-8H2;9,12H,1,3,5-6H2,2,4H3;3-6H,1-2H2

2.1.3 InChIKey

VSTPJPNDHSTRIO-UHFFFAOYSA-N

2.1.4 SMILES

CC(=C)C(=O)OCC(CO)OC(=O)C(=C)C.C=CC(=O)OCC(COC(=O)C=C)OC(=O)C=C.C(C(CO)O)O

2.2 Molecular Formula

C26H38O14

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
574.6 g/mol
Property Name
Hydrogen Bond Donor Count
Property Value
4
Property Name
Hydrogen Bond Acceptor Count
Property Value
14
Property Name
Rotatable Bond Count
Property Value
21
Property Name
Exact Mass
Property Value
574.22615588 g/mol
Property Name
Monoisotopic Mass
Property Value
574.22615588 g/mol
Property Name
Topological Polar Surface Area
Property Value
212 A^2
Property Name
Heavy Atom Count
Property Value
40
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
664
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
1
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
3
Property Name
Compound Is Canonicalized
Property Value
Yes

5 Information Sources

CONTENTS