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Ritonavir Impurity 31

CAT: 1299-RM-R201431-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-R201431-01Size:10 mg
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CAS Number
1414933-83-7
Synonyms
Tert-butyl ((2S,4R,5S) -5-amino-4-hydroxy-1,6-diphenylhexan-2-yl) carbamate
Molecular Formula
C23H32N2O3
Molecular Weight
384.52
Target Alternative Name
Ritonavir
Product Name Synonym
Tert-butyl ((2S,4R,5S) -5-amino-4-hydroxy-1,6-diphenylhexan-2-yl) carbamate

Chemical Information

tert-Butyl ((2S,4R,5S)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl)carbamate
CAS Number1414933-83-7
PubChem CID96450510
IUPAC Nametert-butyl N-[(2S,4R,5S)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl]carbamate
Molecular FormulaC23H32N2O3
Molecular Weight384.5
XLogP3.8
Topological Polar Surface Area84.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Heavy Atom Count28
Formal Charge0
Complexity451
SMILES
CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C[C@H]([C@H](CC2=CC=CC=C2)N)O
InChI
InChI=1S/C23H32N2O3/c1-23(2,3)28-22(27)25-19(14-17-10-6-4-7-11-17)16-21(26)20(24)15-18-12-8-5-9-13-18/h4-13,19-21,26H,14-16,24H2,1-3H3,(H,25,27)/t19-,20-,21+/m0/s1
InChIKey
UKFHOTNATOJBKZ-PCCBWWKXSA-N
Chemical Structure
2D Structure
2D structure of tert-Butyl ((2S,4R,5S)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl)carbamate
CAS: 1414933-83-7
CID: 96450510
Formula: C23H32N2O3
MW: 384.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight384.5
XLogP33.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Exact Mass384.24129289
Monoisotopic Mass384.24129289
Topological Polar Surface Area84.6 Ų
Heavy Atom Count28
Formal Charge0
Complexity451
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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