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Dehydroepiandrosterone-d5 (Major)

CAT: 0572-TRC-D229587-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D229587-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
97453-25-3
Synonyms
Dehydroepiandrosterone-D5 (2,2,3,4,4-D5); DHEA-D5
Hazard Statement
Suspected of damaging fertility or the unborn child.
Purity
>95% (HPLC)
Smiles
[2H]C1([2H])C[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3CC=C2C([2H])([2H])[C@@]1([2H])O
Molecular Formula
C19 2H5 H23 O2
Molecular Weight
293.46
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/h3,13-16,20H,4-11H2,1-2H3/t13-,14-,15-,16-,18-,19-/m0/s1/i7D2,11D2,13D
Additionnal Information
IUPAC name: (3S,8R,9S,10R,13S,14S)-2,2,3,4,4-pentadeuterio-3-hydroxy-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-one
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Dehydroepiandrosterone-D5
CAS Number97453-25-3
PubChem CID117065072
IUPAC Name(3S,8R,9S,10R,13S,14S)-2,2,3,4,4-pentadeuterio-3-hydroxy-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-one
Molecular FormulaC19H28O2
Molecular Weight293.5
XLogP3.2
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(C[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1([2H])[2H])CCC4=O)C)C)([2H])[2H])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/h3,13-16,20H,4-11H2,1-2H3/t13-,14-,15-,16-,18-,19-/m0/s1/i7D2,11D2,13D
InChIKey
FMGSKLZLMKYGDP-PCUPDBOSSA-N
Chemical Structure
2D Structure
2D structure of Dehydroepiandrosterone-D5
CAS: 97453-25-3
CID: 117065072
Formula: C19H28O2
MW: 293.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight293.5
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass293.240313861
Monoisotopic Mass293.240313861
Topological Polar Surface Area37.3 Ų
Heavy Atom Count21
Formal Charge0
Complexity508
Isotope Atom Count5
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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