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25-Hydroxy vitamin D2-d3

CAT: 1568-C04899Size: 1 mgDry Ice: NoHazardous: No
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CAT#:1568-C04899Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1217467-39-4
SKU
C04899-1mg
Additionnal Information
25-Hydroxy vitamin D2-d3 is the deuterated form of (22Z) -25-OH-D2. (22Z) -25-OH-D2 is a metabolic intermediate of vitamin D2 and is produced by hydroxylation in the liver.

Chemical Information

(3S,5E,7E)-(6,19,19-~2~H_3_)-9,10-Secoergosta-5,7,10,22-tetraene-3,25-diol
CAS Number1217467-39-4
PubChem CID71310751
IUPAC Name(1S,3E)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5S)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]-1-deuterioethylidene]-4-(dideuteriomethylidene)cyclohexan-1-ol
Molecular FormulaC28H44O2
Molecular Weight415.7
XLogP6
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity725
SMILES
[2H]C(=C/1CC[C@@H](C\C1=C(\[2H])/C=C/2\CCC[C@]3([C@H]2CC[C@@H]3[C@H](C)C=C[C@H](C)C(C)(C)O)C)O)[2H]
InChI
InChI=1S/C28H44O2/c1-19-10-14-24(29)18-23(19)13-12-22-8-7-17-28(6)25(15-16-26(22)28)20(2)9-11-21(3)27(4,5)30/h9,11-13,20-21,24-26,29-30H,1,7-8,10,14-18H2,2-6H3/b11-9?,22-12+,23-13+/t20-,21+,24+,25-,26+,28-/m1/s1/i1D2,13D
InChIKey
KJKIIUAXZGLUND-ABHIMYCLSA-N
Chemical Structure
2D Structure
2D structure of (3S,5E,7E)-(6,19,19-~2~H_3_)-9,10-Secoergosta-5,7,10,22-tetraene-3,25-diol
CAS: 1217467-39-4
CID: 71310751
Formula: C28H44O2
MW: 415.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight415.7
XLogP36
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass415.352960880
Monoisotopic Mass415.352960880
Topological Polar Surface Area40.5 Ų
Heavy Atom Count30
Formal Charge0
Complexity725
Isotope Atom Count3
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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