Sodium Ethyl-d5 Sulfate

CAT: 1596-AR-A01606-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-A01606-01Size:10 Units

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CAS Number

1329611-05-3

Synonyms

Sodium ethyl sulfate-D5

Molecular Formula

C2O4SD5 Na

Molecular Weight

130.15 22.99

API Name

Alcohol Biomarker

Chemical Information

Sodium;1,1,2,2,2-pentadeuterioethyl sulfate

CAS Number	1329611-05-3
PubChem CID	46782931
IUPAC Name	sodium 1,1,2,2,2-pentadeuterioethyl sulfate
Molecular Formula	C2H5NaO4S
Molecular Weight	153.15
Topological Polar Surface Area	74.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	8
Formal Charge	0
Complexity	121

SMILES

[2H]C([2H])([2H])C([2H])([2H])OS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C2H6O4S.Na/c1-2-6-7(3,4)5;/h2H2,1H3,(H,3,4,5);/q;+1/p-1/i1D3,2D2;

InChIKey

RRLOOYQHUHGIRJ-LUIAAVAXSA-M

Chemical Structure

2D Structure

CAS: 1329611-05-3

CID: 46782931

Formula: C2H5NaO4S

MW: 153.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	153.15
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	153.01200782
Monoisotopic Mass	153.01200782
Topological Polar Surface Area	74.8 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	121
Isotope Atom Count	5
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

Catalog	Name
AR-B01703-01	4-Hydroxy Biphenyl-d5 Sulfate Sodium Salt
AR-P31094-01	Phenelzine-d5 Sulfate
AR-C08407-01	7-Hydroxycoumarin-d5 sulfate
AR-P32665-01	Allopregnanediol 3-sulfate-d5
AR-E01945-01	Estriol 3-Sulfate-d5
AR-C03663-01	7-Hydroxycoumarin-d5 sulfate
AR-P32697-01	Allopregnanediol-d5 3-sulfate
AR-D01313-01	Lauryl Sulfate Sodium Salt (Sodium Lauryl Sulfate)
AR-V06388-01	Ethyl-d5 Vanillin
AR-C06218-01	Carfentrazone-Ethyl-d5

Catalog	Name
TRC-S625302-5MG	Sodium Ethyl-d5 Sulfate
0902D-10	Ethyl sulfate-d5, sodium salt, 10 mg
0902D-2	Ethyl sulfate-d5, sodium salt, 2 mg
TRC-S673252-50MG	Sodium Prasterone Sulfate-d5
HY-113293BS-01	Estrone sulfate-d5 (sodium)
MBS6070242-01	Sodium Ethyl Sulfate
448306-01	Epiandrosterone Sulfate Sodium Salt-d5
TRC-A637407-25MG	Androsterone Sulfate Sodium Salt-d5, >90%
011407	Estrone 3-Sulfate-d5 Sodium Salt
437555-01	5β-Androsterone Sulfate Sodium Salt-d5