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1alpha, 24, 25-Trihydroxy VD2

CAT: 0804-HY-15156-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-15156-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
1alpha, 24, 25-Trihydroxy VD2 is a vitamin D analog.
CAS Number
457048-34-9
UNSPSC
12352211
Target
VD/VDR
Type
Reference compound
Related Pathways
Vitamin D Related/Nuclear Receptor
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/1alpha,-24,-25-Trihydroxy-VD2.html
Purity
98.21
Smiles
O[C@@H](C[C@H](O)C/1=C)CC1=C\C=C2[C@@](CC[C@@H]3[C@@H](/C=C/C(O)(C)C(C)(O)C)C)([H])[C@]3(C)CCC\2
Molecular Formula
C28H44O4
Molecular Weight
444.65
Shipping Conditions
Blue Ice
Storage Conditions
-20°C (Powder, protect from light, stored under nitrogen)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

1alpha, 24, 25-Trihydroxy VD2
CAS Number457048-34-9
PubChem CID15170989
IUPAC Nametrans-(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R)-5,6-dihydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
Molecular FormulaC28H44O4
Molecular Weight444.6
XLogP3.7
Topological Polar Surface Area80.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count32
Formal Charge0
Complexity806
SMILES
C[C@H](/C=C/C(C)(C(C)(C)O)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C
InChI
InChI=1S/C28H44O4/c1-18(13-15-28(6,32)26(3,4)31)23-11-12-24-20(8-7-14-27(23,24)5)9-10-21-16-22(29)17-25(30)19(21)2/h9-10,13,15,18,22-25,29-32H,2,7-8,11-12,14,16-17H2,1,3-6H3/b15-13+,20-9+,21-10-/t18-,22-,23-,24+,25+,27-,28?/m1/s1
InChIKey
KRGCLKZOZQUAFK-UAAWEXCDSA-N
Chemical Structure
2D Structure
2D structure of 1alpha, 24, 25-Trihydroxy VD2
CAS: 457048-34-9
CID: 15170989
Formula: C28H44O4
MW: 444.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight444.6
XLogP33.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass444.32395988
Monoisotopic Mass444.32395988
Topological Polar Surface Area80.9 Ų
Heavy Atom Count32
Formal Charge0
Complexity806
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count3
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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