Products for Research Use Only
RegisterLogin

Benzoic Acid Acyl-b-D-glucuronide

CAT: 0572-TRC-B203930-100MGSize: 100 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0572-TRC-B203930-100MGSize:100 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
19237-53-7
Synonyms
Benzoic Acid Acyl-β-D-glucuronide; Glucopyranuronic Acid 1-Benzoate; β-D-Glucopyranuronic Acid 1-Benzoate; Benzoic Acid glucuronide; Benzoic Acid β-D-glucuronide; Benzoyl Glucuronide; Benzoyl-β-D-glucuronide
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
O[C@@H]1[C@@H](O)[C@H](OC(=O)c2ccccc2)O[C@@H]([C@H]1O)C(=O)O
Molecular Formula
C13 H14 O8
Molecular Weight
298.2455
InChI
InChI=1S/C13H14O8/c14-7-8(15)10(11(17)18)20-13(9(7)16)21-12(19)6-4-2-1-3-5-6/h1-5,7-10,13-16H,(H,17,18)/t7-,8-,9+,10-,13-/m0/s1
Additionnal Information
IUPAC name: (2S,3S,4S,5R,6S)-6-benzoyloxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Benzoyl glucuronide

Benzoyl glucuronide (Benzoic acid) is a glucosiduronic acid.

CAS Number19237-53-7
PubChem CID115145
IUPAC Name(2S,3S,4S,5R,6S)-6-benzoyloxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Molecular FormulaC13H14O8
Molecular Weight298.24
XLogP-0.1
Topological Polar Surface Area134
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count21
Formal Charge0
Complexity392
SMILES
C1=CC=C(C=C1)C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O
InChI
InChI=1S/C13H14O8/c14-7-8(15)10(11(17)18)20-13(9(7)16)21-12(19)6-4-2-1-3-5-6/h1-5,7-10,13-16H,(H,17,18)/t7-,8-,9+,10-,13-/m0/s1
InChIKey
NLOPFVNXNMEEDI-UNLLLRGISA-N
Chemical Structure
2D Structure
2D structure of Benzoyl glucuronide
CAS: 19237-53-7
CID: 115145
Formula: C13H14O8
MW: 298.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight298.24
XLogP3-0.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass298.06886740
Monoisotopic Mass298.06886740
Topological Polar Surface Area134 Ų
Heavy Atom Count21
Formal Charge0
Complexity392
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
TRC-B203930-10MGBenzoic Acid Acyl-Beta-D-glucuronide
T535310Tolfenamic Acid Acyl-b-D-Glucuronide
TRC-S088135-100MGSalicylic Acid Acyl-b-D-glucuronide
TRC-A187775-10MGAcetylsalicylic Acid Acyl-b-D-glucuronide (>85%)
TRC-A187775-1MGAcetylsalicylic Acid Acyl-Beta-D-glucuronideAcetylsalicylic Acid Acyl-b-D-glucuronide (>85%)
TRC-S485005-0.5MGSimvastatin Acyl-b-D-glucuronide
TRC-C587245-0.5MGClopidogrel Acyl-b-D-glucuronide
TRC-R111005-2MGRamipril Acyl-b-D-glucuronide
TRC-A791760-0.25MGAtorvastatin Acyl-b-D-glucuronide
TRC-P403550-25MGPilocarpic Acyl b-D-Glucuronide

Alternative Products

CatalogName
292846-01Benzoic acid-acyl-b-D-glucuronide
GC8363-2mgBenzoic acid acyl-β-D-glucuronide
BICL4036-01Benzoic acid-acyl-beta-D-glucuronide
AR-B01337-01Benzoic Acid Glucuronide
sc-319853Benzoic acid-d
AR-M01254-01Mefenamic Acid Impurity D (Benzoic Acid)
HY-N11891-014- (β-D-glucopyranosyloxy) benzoic acid
BUP21183-014- (β-D-glucopyranosyloxy) benzoic acid
OR1086704-014- (dibenzo[b, d]furan-4-yl) benzoic acid
MBS58249824-(beta-D-glucopyranosyloxy)benzoic acid

Popular Products