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Saccharolactone

CAT: 0013-GTR19274672-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19274672-02Size:10 mg
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Description
Saccharolactone is a potent oral inhibitor of β-glucuronidase (β-glucuronidase) . This compound considerably reduces the activity of endogenous β-glucuronidase in rat bile. Additionally, Saccharolactone stabilizes glucuronide metabolites in vitro. It is also a strong inhibitor of the CYP1A2, 2D6, 3A4, and 2C8 isoenzymes [IC50 < 4 mM].
CAS Number
389-36-6
Smiles
[C@H] (C (O) =O) (O) [C@@]1 ([C@H] (O) [C@@H] (O) C (=O) O1) [H]
Molecular Formula
C6H8O7
Molecular Weight
192.12
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

D-glucaro-1,4-lactone

D-glucaro-1,4-lactone is a delta-lactone that is D-glucono-1,4-lactone in which the hydroxy group at position 6 has been oxidised to the corresponding carboxylic acid. It is a delta-lactone and an aldarolactone. It is functionally related to a D-glucono-1,4-lactone. It is a conjugate acid of a D-glucaro-1,4-lactone(1-).

CAS Number389-36-6
PubChem CID122306
IUPAC Name(2S)-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-MMPJQOAZSA-N
Chemical Structure
2D Structure
2D structure of D-glucaro-1,4-lactone
CAS: 389-36-6
CID: 122306
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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