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6Beta-Hydroxy testosterone-d3

CAT: 0926-NAB16338-01Size: 0.5 mgDry Ice: NoHazardous: No
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CAT#:0926-NAB16338-01Size:0.5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
638163-38-9
Smiles
CC12CCC3C (C1CCC2O) CC (C4=CC (=O) CCC34C) O
Molecular Formula
C19H28O3
Molecular Weight
307.4 g/mol
Controlled
Yes

Chemical Information

6-B-Hydroxy testosterone-D3
CAS Number638163-38-9
PubChem CID45039532
IUPAC Name(6R,8R,9S,10R,13S,14S,17S)-16,16,17-trideuterio-6,17-dihydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-one
Molecular FormulaC19H28O3
Molecular Weight307.4
XLogP2
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count22
Formal Charge0
Complexity539
SMILES
[2H][C@]1([C@]2(CC[C@H]3[C@H]([C@@H]2CC1([2H])[2H])C[C@H](C4=CC(=O)CC[C@]34C)O)C)O
InChI
InChI=1S/C19H28O3/c1-18-7-5-11(20)9-15(18)16(21)10-12-13-3-4-17(22)19(13,2)8-6-14(12)18/h9,12-14,16-17,21-22H,3-8,10H2,1-2H3/t12-,13-,14-,16+,17-,18+,19-/m0/s1/i4D2,17D
InChIKey
XSEGWEUVSZRCBC-SAPYDMBASA-N
Chemical Structure
2D Structure
2D structure of 6-B-Hydroxy testosterone-D3
CAS: 638163-38-9
CID: 45039532
Formula: C19H28O3
MW: 307.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight307.4
XLogP32
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass307.22267499
Monoisotopic Mass307.22267499
Topological Polar Surface Area57.5 Ų
Heavy Atom Count22
Formal Charge0
Complexity539
Isotope Atom Count3
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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