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24, 25-Dihydroxy VD2 10mg

CAT: 0628-A14972-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0628-A14972-10Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
58050-55-8

Chemical Information

24, 25-Dihydroxy VD2
CAS Number58050-55-8
PubChem CID66577069
IUPAC Name(E,6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2,3-dimethylhept-4-ene-2,3-diol
Molecular FormulaC28H44O3
Molecular Weight428.6
XLogP4.8
Topological Polar Surface Area60.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count31
Formal Charge0
Complexity773
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](CCC3=C)O)C
InChI
InChI=1S/C28H44O3/c1-19-9-12-23(29)18-22(19)11-10-21-8-7-16-27(5)24(13-14-25(21)27)20(2)15-17-28(6,31)26(3,4)30/h10-11,15,17,20,23-25,29-31H,1,7-9,12-14,16,18H2,2-6H3/b17-15+,21-10+,22-11-/t20-,23+,24-,25+,27-,28?/m1/s1
InChIKey
BPEQZNMKGFTMQE-LLWYEHBDSA-N
Chemical Structure
2D Structure
2D structure of 24, 25-Dihydroxy VD2
CAS: 58050-55-8
CID: 66577069
Formula: C28H44O3
MW: 428.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight428.6
XLogP34.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass428.32904526
Monoisotopic Mass428.32904526
Topological Polar Surface Area60.7 Ų
Heavy Atom Count31
Formal Charge0
Complexity773
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count3
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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