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17β-Estradiol-d5 solution

CAT: 0926-WIA09345-02Size: 10 mLDry Ice: NoHazardous: No
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CAT#:0926-WIA09345-02Size:10 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
221093-45-4
MDL Number
MFCD01075456
Smiles
CC12CCC3C (C1CCC2O) CCC4=C3C=CC (=C4) O
Molecular Formula
C18H24O2
Molecular Weight
277.4 g/mol
Controlled
No

Chemical Information

17beta-Estradiol-2,4,16,16,17-D5
CAS Number221093-45-4
PubChem CID11616093
IUPAC Name(8R,9S,13S,14S,17S)-2,4,16,16,17-pentadeuterio-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthrene-3,17-diol
Molecular FormulaC18H24O2
Molecular Weight277.4
XLogP4
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count20
Formal Charge0
Complexity382
SMILES
[2H]C1=CC2=C(CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC([C@]4([2H])O)([2H])[2H])C)C(=C1O)[2H]
InChI
InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1/i3D,7D2,10D,17D
InChIKey
VOXZDWNPVJITMN-MOKSCAJFSA-N
Chemical Structure
2D Structure
2D structure of 17beta-Estradiol-2,4,16,16,17-D5
CAS: 221093-45-4
CID: 11616093
Formula: C18H24O2
MW: 277.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight277.4
XLogP34
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass277.209013734
Monoisotopic Mass277.209013734
Topological Polar Surface Area40.5 Ų
Heavy Atom Count20
Formal Charge0
Complexity382
Isotope Atom Count5
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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