Products for Research Use Only
RegisterLogin

Darunavir Dimer Impurity

CAT: 1596-AR-D05996-02Size: 150Dry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:1596-AR-D05996-02Size:150
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
2307745-62-4
Synonyms
Di-tert-butyl ((2S,2'S,3R,3'R) - (isobutylazanediyl) bis (3-hydroxy-1-phenylbutane-4,2-diyl) ) dicarbamate
Molecular Formula
C34H53N3O6
Molecular Weight
599.8
API Name
Darunavir

Chemical Information

tert-butyl N-[(2S,3R)-3-hydroxy-4-[[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl]-(2-methylpropyl)amino]-1-phenylbutan-2-yl]carbamate
CAS Number2307745-62-4
PubChem CID176480841
IUPAC Nametert-butyl N-[(2S,3R)-3-hydroxy-4-[[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl]-(2-methylpropyl)amino]-1-phenylbutan-2-yl]carbamate
Molecular FormulaC34H53N3O6
Molecular Weight599.8
XLogP5.8
Topological Polar Surface Area120
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count18
Heavy Atom Count43
Formal Charge0
Complexity750
SMILES
CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)OC(C)(C)C)O)C[C@H]([C@H](CC2=CC=CC=C2)NC(=O)OC(C)(C)C)O
InChI
InChI=1S/C34H53N3O6/c1-24(2)21-37(22-29(38)27(19-25-15-11-9-12-16-25)35-31(40)42-33(3,4)5)23-30(39)28(20-26-17-13-10-14-18-26)36-32(41)43-34(6,7)8/h9-18,24,27-30,38-39H,19-23H2,1-8H3,(H,35,40)(H,36,41)/t27-,28-,29+,30+/m0/s1
InChIKey
VXDATJYYPQKTTE-VZNYXHRGSA-N
Chemical Structure
2D Structure
2D structure of tert-butyl N-[(2S,3R)-3-hydroxy-4-[[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl]-(2-methylpropyl)amino]-1-phenylbutan-2-yl]carbamate
CAS: 2307745-62-4
CID: 176480841
Formula: C34H53N3O6
MW: 599.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight599.8
XLogP35.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count18
Exact Mass599.39343642
Monoisotopic Mass599.39343642
Topological Polar Surface Area120 Ų
Heavy Atom Count43
Formal Charge0
Complexity750
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
AR-D06513-01Darunavir Impurity 3 (Amino Dimer)
AR-D06511-01Darunavir Impurity 24
AR-D06521-01Darunavir Impurity 11
AR-D06508-01Darunavir Impurity 31
AR-D06504-01Darunavir Impurity 13
AR-D06514-01Darunavir Impurity A Enantiomer
AR-D06522-01Darunavir Impurity 12
AR-D06512-01Darunavir Impurity 2
AR-D06509-01Darunavir Impurity 34
AR-D01260-01Darunavir Impurity 17

Alternative Products

CatalogName
RM-D010120-01Darunavir Impurity 20
RM-D010114-01Darunavir Impurity 14
RM-D010112-01Darunavir Impurity 12
RM-D010108-01Darunavir Impurity 8
RM-D010104-01Darunavir Impurity 4
RM-D010121-01Darunavir Impurity 21
RM-D010127-01Darunavir Impurity 27
RM-D010117-01Darunavir Impurity 17
RM-D010110-01Darunavir Impurity 10
RM-D010109-01Darunavir Impurity 9

Popular Products