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Calcitriol Impurity 14

CAT: 1596-AR-C05794-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-C05794-01Size:10 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
171011-48-6
Molecular Formula
C19H38O2Si
Molecular Weight
326.60
API Name
Calcitriol

Chemical Information

(R)-2-((1R,3AR,4S,7aR)-4-((tert-butyldimethylsilyl)oxy)-7a-methyloctahydro-1H-inden-1-yl)propan-1-ol
CAS Number171011-48-6
PubChem CID10782414
IUPAC Name(2R)-2-[(1R,3aR,4S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propan-1-ol
Molecular FormulaC19H38O2Si
Molecular Weight326.6
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count22
Formal Charge0
Complexity387
SMILES
C[C@@H](CO)[C@H]1CC[C@@H]2[C@@]1(CCC[C@@H]2O[Si](C)(C)C(C)(C)C)C
InChI
InChI=1S/C19H38O2Si/c1-14(13-20)15-10-11-16-17(9-8-12-19(15,16)5)21-22(6,7)18(2,3)4/h14-17,20H,8-13H2,1-7H3/t14-,15+,16-,17-,19+/m0/s1
InChIKey
DGEVWAPMMLVXQF-CNMWIUBYSA-N
Chemical Structure
2D Structure
2D structure of (R)-2-((1R,3AR,4S,7aR)-4-((tert-butyldimethylsilyl)oxy)-7a-methyloctahydro-1H-inden-1-yl)propan-1-ol
CAS: 171011-48-6
CID: 10782414
Formula: C19H38O2Si
MW: 326.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight326.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass326.264106985
Monoisotopic Mass326.264106985
Topological Polar Surface Area29.5 Ų
Heavy Atom Count22
Formal Charge0
Complexity387
Isotope Atom Count0
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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