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5Alpha-Androstane-3Alpha,17Beta-diol-d3

CAT: 0572-TRC-A637522-1MGSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A637522-1MGSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
79037-33-5
Synonyms
(3α,5α,17β)-Androstane-3,17-diol-d3; 3α,17β-Dihydroxy-5α-androstane-d3; 3α,5α-Tetrahydrotestosterone-d3; Adiol-d3; Androstane-3α,17β-diol-d3; Etiocholane-3α,17β-diol-d3; Hombreol-d3; NSC 9899-d3; 5α-Androstane-3α,17β- diol-16,16,17-d3;
Hazard Statement
Not a hazardous substance according to GHS.
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O[C@@]1([2H])C([2H])([2H])C[C@@]2([H])C3CC[C@@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@@]21C
Molecular Formula
C19H29D3O2
Molecular Weight
295.48
Shipping Conditions
Room Temperature

Chemical Information

5alpha-Androstan-3alpha,17beta-diol-16,16,17-D3
CAS Number79037-33-5
PubChem CID90476174
IUPAC Name(3R,5S,8R,9S,10S,13S,14S,17S)-16,16,17-trideuterio-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
Molecular FormulaC19H32O2
Molecular Weight295.5
XLogP4.2
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count21
Formal Charge0
Complexity422
SMILES
[2H][C@]1([C@]2(CC[C@H]3[C@H]([C@@H]2CC1([2H])[2H])CC[C@@H]4[C@@]3(CC[C@H](C4)O)C)C)O
InChI
InChI=1S/C19H32O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-17,20-21H,3-11H2,1-2H3/t12-,13+,14-,15-,16-,17-,18-,19-/m0/s1/i6D2,17D
InChIKey
CBMYJHIOYJEBSB-IAUVTJTKSA-N
Chemical Structure
2D Structure
2D structure of 5alpha-Androstan-3alpha,17beta-diol-16,16,17-D3
CAS: 79037-33-5
CID: 90476174
Formula: C19H32O2
MW: 295.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight295.5
XLogP34.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass295.259060497
Monoisotopic Mass295.259060497
Topological Polar Surface Area40.5 Ų
Heavy Atom Count21
Formal Charge0
Complexity422
Isotope Atom Count3
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
CS-I-000485alpha-Androstane-3alpha,17beta-diol
MBS5799046-015beta-Androstane-3alpha,17beta-diol
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EDA03733-015Alpha-Androstan-3alpha,17beta-diol-16,16,17-d3
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FAA85610-015Beta-Androstane-3alpha,17alpha-diol
HY-78766-013beta,6alpha,17beta-Trihydroxy-5alpha-androstane
BAA85261-01Delta4-androstene-3alpha,17beta-diol
PAA29194-01Delta1-androstene-3alpha,17beta-diol
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