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L-Idaric acid,1,4-lactone

CAT: 0013-GTR19248090-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19248090-01Size:100 mg
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Description
L-Idaric acid,1,4-lactone is a reagent used in biochemical reactions.
CAS Number
80876-59-1
Smiles
OC ([C@@H] ([C@]1 ([H]) [C@@H] ([C@H] (C (O1) =O) O) O) O) =O
Molecular Formula
C6H8O7
Molecular Weight
192.12
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

L-Idaric acid, 1,4-lactone
CAS Number80876-59-1
PubChem CID11873519
IUPAC Name(2R)-2-[(2S,3R,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxyacetic acid
Molecular FormulaC6H8O7
Molecular Weight192.12
XLogP-1.8
Topological Polar Surface Area124
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Heavy Atom Count13
Formal Charge0
Complexity237
SMILES
[C@H]1([C@H](C(=O)O[C@@H]1[C@H](C(=O)O)O)O)O
InChI
InChI=1S/C6H8O7/c7-1-2(8)6(12)13-4(1)3(9)5(10)11/h1-4,7-9H,(H,10,11)/t1-,2-,3-,4+/m1/s1
InChIKey
XECPAIJNBXCOBO-AJSXGEPRSA-N
Chemical Structure
2D Structure
2D structure of L-Idaric acid, 1,4-lactone
CAS: 80876-59-1
CID: 11873519
Formula: C6H8O7
MW: 192.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight192.12
XLogP3-1.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Exact Mass192.02700259
Monoisotopic Mass192.02700259
Topological Polar Surface Area124 Ų
Heavy Atom Count13
Formal Charge0
Complexity237
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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