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Testosterone-d3

CAT: 0926-FT170248-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0926-FT170248-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
77546-39-5
Smiles
[2H][C@]1 ([C@]2 (CC[C@H]3[C@H] ([C@@H]2CC1 ([2H]) [2H]) CCC4=CC (=O) CC[C@]34C) C) O
Molecular Formula
C19H25D3O2
Molecular Weight
291.44 g/mol
Controlled
Yes

Chemical Information

(17beta)-17-Hydroxy(16,16,17-2H3)androst-4-en-3-one
CAS Number77546-39-5
PubChem CID45040472
IUPAC Name(8R,9S,10R,13S,14S,17S)-16,16,17-trideuterio-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-one
Molecular FormulaC19H28O2
Molecular Weight291.4
XLogP3.3
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count21
Formal Charge0
Complexity508
SMILES
[2H][C@]1([C@]2(CC[C@H]3[C@H]([C@@H]2CC1([2H])[2H])CCC4=CC(=O)CC[C@]34C)C)O
InChI
InChI=1S/C19H28O2/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/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1/i6D2,17D
InChIKey
MUMGGOZAMZWBJJ-HZRGXLBSSA-N
Chemical Structure
2D Structure
2D structure of (17beta)-17-Hydroxy(16,16,17-2H3)androst-4-en-3-one
CAS: 77546-39-5
CID: 45040472
Formula: C19H28O2
MW: 291.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight291.4
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass291.227760370
Monoisotopic Mass291.227760370
Topological Polar Surface Area37.3 Ų
Heavy Atom Count21
Formal Charge0
Complexity508
Isotope Atom Count3
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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