CID 51536974
PubChem CID
51536974
Structure
Molecular Formula
Status
Non-live
Molecular Weight
212.20 g/mol
Dates
- Create:2011-05-20
Chemical Structure Depiction
(1R,2S,3S,4S)-1,4-dimethyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate
InChI=1S/C10H14O5/c1-9-3-4-10(2,15-9)6(8(13)14)5(9)7(11)12/h5-6H,3-4H2,1-2H3,(H,11,12)(H,13,14)/p-2/t5-,6-,9-,10+/m1/s1
LOIACBOKCRBDOQ-QLSQZMLOSA-L
C[C@]12CC[C@](O1)([C@H]([C@@H]2C(=O)[O-])C(=O)[O-])C
C10H12O5-2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
212.20 g/mol
Property Name
XLogP3-AA
Property Value
1.2
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
5
Property Name
Rotatable Bond Count
Property Value
0
Property Name
Exact Mass
Property Value
212.06847348 g/mol
Property Name
Monoisotopic Mass
Property Value
212.06847348 g/mol
Property Name
Topological Polar Surface Area
Property Value
89.5 A^2
Property Name
Heavy Atom Count
Property Value
15
Property Name
Formal Charge
Property Value
-2
Property Name
Complexity
Property Value
296
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
4
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
CONTENTS