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CID 23565504

PubChem CID
23565504
Structure
CID 23565504_small.png
Molecular Formula
Status
Non-live
Molecular Weight
602.21 g/mol
Dates
  • Create:
    2007-12-06

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 23565504.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

actinium;2-(hydroxymethyl)-5-methyloxolane-3,4-diol

2.1.2 InChI

InChI=1S/C6H12O4.2Ac/c1-3-5(8)6(9)4(2-7)10-3;;/h3-9H,2H2,1H3;;

2.1.3 InChIKey

ABASXVAKRVQUQP-UHFFFAOYSA-N

2.1.4 SMILES

CC1C(C(C(O1)CO)O)O.[Ac].[Ac]

2.2 Molecular Formula

C6H12Ac2O4

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
602.21 g/mol
Property Name
Hydrogen Bond Donor Count
Property Value
3
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
1
Property Name
Exact Mass
Property Value
602.12906 g/mol
Property Name
Monoisotopic Mass
Property Value
602.12906 g/mol
Property Name
Topological Polar Surface Area
Property Value
69.9 A^2
Property Name
Heavy Atom Count
Property Value
12
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
124
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
4
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