Ethyl-d5 beta-D-Glucuronide

CAT: 1596-AR-A05868-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-A05868-02Size:25 Units

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1135070-98-2

Molecular Formula

C8H9D5O7

Molecular Weight

227.22

API Name

Alcohol biomarker

Chemical Information

Ethyl-d5 beta-D-glucuronide

CAS Number	1135070-98-2
PubChem CID	71316593
IUPAC Name	(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(1,1,2,2,2-pentadeuterioethoxy)oxane-2-carboxylic acid
Molecular Formula	C8H14O7
Molecular Weight	227.22
XLogP	-1.4
Topological Polar Surface Area	116
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Heavy Atom Count	15
Formal Charge	0
Complexity	231

SMILES

[2H]C([2H])([2H])C([2H])([2H])O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O

InChI

InChI=1S/C8H14O7/c1-2-14-8-5(11)3(9)4(10)6(15-8)7(12)13/h3-6,8-11H,2H2,1H3,(H,12,13)/t3-,4-,5+,6-,8+/m0/s1/i1D3,2D2

InChIKey

IWJBVMJWSPZNJH-XTJTXKPGSA-N

Chemical Structure

2D Structure

CAS: 1135070-98-2

CID: 71316593

Formula: C8H14O7

MW: 227.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	227.22
XLogP3	-1.4
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Exact Mass	227.10533651
Monoisotopic Mass	227.10533651
Topological Polar Surface Area	116 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	231
Isotope Atom Count	5
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-A01608-01	Ethyl-d5 D-Glucuronide
AR-E01946-01	Estriol 3- (beta-D-Glucuronide) -d5
AR-D06326-01	Dapagliflozin 3-O-beta-D-Glucuronide-d5
AR-D06325-01	Dapagliflozin 2-O-beta-D-Glucuronide-d5
AR-E01947-01	Estriol 16-alpha- (beta-D-Glucuronide) -d5
AR-A01607-01	Ethyl D-Glucuronide
AR-E01948-01	Estriol-3-Sulfate-16-alpha- (beta-D-Glucuronide) -d5
AR-H07781-01	Hymecromone-beta-D-Glucuronide
AR-G02025-01	(-) -Epigallocatechin-beta-D-Glucuronide A
AR-P31203-01	Catechol-beta-D-Glucuronide

Catalog	Name
TRC-E918427-10MG	Ethyl-d5 Beta-D-glucuronide
sc-218430	Ethyl-d5 β-D-glucuronide
TMID-0062-01	Ethyl-β-D-glucuronide-d5
ME07199-01	D5-Ethyl b-D-glucuronide
TRC-E918425-10MG	Ethyl beta-D-Glucuronide
TRC-E578412-25MG	Epiandrosterone-d5 beta-D-Glucuronide
HY-113093S	Ethyl glucuronide-d5
TRC-M225962-25MG	Methocarbamol-d5 beta-D-Glucuronide
0901D-10	Ethyl-β-D-glucuronide-d5, 10 mg
0901D-2	Ethyl-β-D-glucuronide-d5, 2 mg