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CID 22644232

PubChem CID
22644232
Structure
CID 22644232_small.png
Molecular Formula
Status
Non-live
Molecular Weight
255.14 g/mol
Dates
  • Create:
    2007-12-05

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 22644232.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

2,3-dihydroxypropyl 2-methylprop-2-enoate;phosphate

2.1.2 InChI

InChI=1S/C7H12O4.H3O4P/c1-5(2)7(10)11-4-6(9)3-8;1-5(2,3)4/h6,8-9H,1,3-4H2,2H3;(H3,1,2,3,4)/p-3

2.1.3 InChIKey

GIRYURVWPFUSIT-UHFFFAOYSA-K

2.1.4 SMILES

CC(=C)C(=O)OCC(CO)O.[O-]P(=O)([O-])[O-]

2.2 Molecular Formula

C7H12O8P-3

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
255.14 g/mol
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
8
Property Name
Rotatable Bond Count
Property Value
5
Property Name
Exact Mass
Property Value
255.02697933 g/mol
Property Name
Monoisotopic Mass
Property Value
255.02697933 g/mol
Property Name
Topological Polar Surface Area
Property Value
153 A^2
Property Name
Heavy Atom Count
Property Value
16
Property Name
Formal Charge
Property Value
-3
Property Name
Complexity
Property Value
189
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
2
Property Name
Compound Is Canonicalized
Property Value
Yes

5 Information Sources

CONTENTS