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99447-30-0

99447-30-0 Structure

99447-30-0 Structure
IdentificationBack Directory
[Name]

25-hydroxyvitamin D3 3-sulfate ester
[CAS]

99447-30-0
[Synonyms]

Calcifediol 3-Sulfate
25-HydroxyvitaMin D3 3-Sulfate
25-HydroxyvitaMin D3 3β-Sulfate
25-Hydroxy VitaMin D3 3-sulfate
25-hydroxyvitamin D3 3-sulfate ester
25-Hydroxy VitaMin D3 3-Sulfate SodiuM Salt
25-Hydroxyvitamin D3-[d3] Sulfate Sodium Salt (Solution)
15-Hydroxyvitamin D3-6,19,19-d3 sulfate sodium salt solution
25-Hydroxyvitamin D3-26,26,26,27,27,27-d6 sulfate sodium salt solution
(3β,5Z,7E)-9,10-Secocholesta-5,7,10(19)-triene-3,25-diol 3-(Hydrogen Sulfate)
1H-Indene-1-pentanol, octahydro-α,α,ε,7a-tetramethyl-4-[(2Z)-2-[(5S)-2-methylene-5-(sulfooxy)cyclohexylidene]ethylidene]-, (εR,1R,3aS,4E,7aR)-
[Molecular Formula]

C27H44O5S
[MDL Number]

MFCD28411439
[MOL File]

99447-30-0.mol
[Molecular Weight]

480.7
Chemical PropertiesBack Directory
[density ]

1.14±0.1 g/cm3(Predicted)
[storage temp. ]

-20°C
[solubility ]

Methanol (Slightly), Water (Slightly)
[form ]

Solid
[pka]

-3.55±0.18(Predicted)
[color ]

Pale Yellow to Dark Beige
[Stability:]

Light Sensitive, Temperature Sensitive
[Major Application]

detection
[InChIKey]

UVFUTTRHHIQISA-DZAJWRDGSA-M
[SMILES]

C[C@H](CCCC(C([2H])([2H])[2H])(C([2H])([2H])[2H])O)C1CCC([C@]1(C)CCC/2)C2=C\C=C(C[C@@H](OS(=O)([O-])=O)CC3)/C3=C.[Na+]
Safety DataBack Directory
[RIDADR ]

UN1170 - class 3 - PG 2 - Ethanol, solution
[WGK Germany ]

WGK 1
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Eye Irrit. 2
Flam. Liq. 2
Hazard InformationBack Directory
[Uses]

25-Hydroxyvitamin D3-26,26,26,27,27,27-d6?sulfate sodium salt can be used as a stable isotope internal standard for data interpretation in specific biological samples by mass spectrometry.
[General Description]

25-Hydroxyvitamin D3 (calcifediol) is a prohormone produced via hydroxylation of vitamin D3 (cholecalciferol) in the liver. It is a precursor for the synthesis of calcitriol {1,25-dihydroxyvitamin D3 or [1,25(OH)2D3]}. It is used as a biomarker to determine the status of vitamin D in the body.
25-Hydroxyvitamin D3-26,26,26,27,27,27-d6?sulfate sodium salt is a deuterated vitamin D3 wherein methyl protons of C-26, C-27 carbons are replaced by deuterium.
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