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3-Epi-25-Hydroxyvitamin D3-[13C5] (Solution)

CAT: 1459-CS-I-00544Size: 1 EachDry Ice: NoHazardous: No
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Description
3-Epi-25-Hydroxyvitamin D3-[13C5] (Solution) is listed under Stable Isotopes and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with Cholecalciferol. The product is supplied by Clearsynth under CAT No. CS-I-00544. Clearsynth provides this compound for research and analytical use, with product information including CAS number, molecular formula, molecular weight and product enquiry details.
Overview
Useful research chemical for a range of applications.
CAS Number
2482467-12-7
Synonyms
3-Epi-25-Hydroxyvitamin D3-[13C5] (Solution)
Molecular Formula
C 2213 C 5 H 44 O 2
Molecular Weight
405.6
Additionnal Information
3-Epi-25-Hydroxyvitamin D3-[13C5] (Solution) is supplied with detailed characterization data compliant with regulatory guideline. 3-Epi-25-Hydroxyvitamin D3-[13C5] (Solution) can be used for analytical method development, method validation (AMV), Quality Control (QC) application for Abbreviated New Drug Application (ANDA), or during commercial production of Cholecalciferol.
Storage Conditions
Refer MSDS for complete information.
Applications Notes
Useful research chemical for a range of applications.
HSN Code
38229010
Hazard Compound
Refer MSDS for complete information.

Chemical Information

3-Epi-25-hydroxyvitamin D3-13c5
CAS Number2482467-12-7
PubChem CID168006896
IUPAC Name(1R,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-(113C)methyl(4,5,6,7-13C4)heptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
Molecular FormulaC27H44O2
Molecular Weight405.6
XLogP6.2
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Heavy Atom Count29
Formal Charge0
Complexity655
SMILES
C[C@H](C[13CH2][13CH2][13C]([13CH3])([13CH3])O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@@H](CCC3=C)O)C
InChI
InChI=1S/C27H44O2/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29/h11-12,20,23-25,28-29H,1,6-10,13-18H2,2-5H3/b21-11+,22-12-/t20-,23-,24-,25+,27-/m1/s1/i3+1,4+1,6+1,16+1,26+1
InChIKey
JWUBBDSIWDLEOM-JTPXXKCSSA-N
Chemical Structure
2D Structure
2D structure of 3-Epi-25-hydroxyvitamin D3-13c5
CAS: 2482467-12-7
CID: 168006896
Formula: C27H44O2
MW: 405.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight405.6
XLogP36.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Exact Mass405.35090482
Monoisotopic Mass405.35090482
Topological Polar Surface Area40.5 Ų
Heavy Atom Count29
Formal Charge0
Complexity655
Isotope Atom Count5
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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