CID 21932552
PubChem CID
21932552
Structure
Molecular Formula
Status
Non-live
Molecular Weight
509.00 g/mol
Dates
- Create:2007-12-05
Chemical Structure Depiction
2,3,4,5,6-pentahydroxyhexanoate;tin(4+)
InChI=1S/2C6H12O7.Sn/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;/h2*2-5,7-11H,1H2,(H,12,13);/q;;+4/p-2
MAQRVUSAHIBYDU-UHFFFAOYSA-L
C(C(C(C(C(C(=O)[O-])O)O)O)O)O.C(C(C(C(C(C(=O)[O-])O)O)O)O)O.[Sn+4]
C12H22O14Sn+2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
509.00 g/mol
Property Name
Hydrogen Bond Donor Count
Property Value
10
Property Name
Hydrogen Bond Acceptor Count
Property Value
14
Property Name
Rotatable Bond Count
Property Value
8
Property Name
Exact Mass
Property Value
510.003158 g/mol
Property Name
Monoisotopic Mass
Property Value
510.003158 g/mol
Property Name
Topological Polar Surface Area
Property Value
283 A^2
Property Name
Heavy Atom Count
Property Value
27
Property Name
Formal Charge
Property Value
2
Property Name
Complexity
Property Value
165
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
8
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
Old substance
CONTENTS