Products for Research Use Only
RegisterLogin

Hydroxy Darunavir

CAT: 1596-AR-D01255-04Size: 100 UnitsDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:1596-AR-D01255-04Size:100 Units
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1130635-75-4
Synonyms
(3R,3aS,6aR) -hexahydrofuro[2,3-b]furan-3-yl ((2S,3R) -4- (4-amino-N- (2-hydroxy-2-methylpropyl) phenylsulfonamido) -3-hydroxy-1-phenylbutan-2-yl) carbamate; N-[3-[[ (4-aminophenyl) sulfonyl] (2-hydroxy-2-methylpropyl) amino]-2-hydroxy-1- (phenylmethyl) propyl]carbamic Acid Hexahydrofuro[2,3-b]furan-3-yl Ester; Hydroxy Darunavir
Molecular Formula
C27H37N3O8S
Molecular Weight
563.67
API Name
Darunavir

Chemical Information

[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-(2-hydroxy-2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate
CAS Number1130635-75-4
PubChem CID71748962
IUPAC Name[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-(2-hydroxy-2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate
Molecular FormulaC27H37N3O8S
Molecular Weight563.7
XLogP1.5
Topological Polar Surface Area169
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count12
Heavy Atom Count39
Formal Charge0
Complexity899
SMILES
CC(C)(CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)C4=CC=C(C=C4)N)O
InChI
InChI=1S/C27H37N3O8S/c1-27(2,33)17-30(39(34,35)20-10-8-19(28)9-11-20)15-23(31)22(14-18-6-4-3-5-7-18)29-26(32)38-24-16-37-25-21(24)12-13-36-25/h3-11,21-25,31,33H,12-17,28H2,1-2H3,(H,29,32)/t21-,22-,23+,24-,25+/m0/s1
InChIKey
XGXCRIIMIUNTCF-ARXROMJUSA-N
Chemical Structure
2D Structure
2D structure of [(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-(2-hydroxy-2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate
CAS: 1130635-75-4
CID: 71748962
Formula: C27H37N3O8S
MW: 563.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight563.7
XLogP31.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count12
Exact Mass563.23013632
Monoisotopic Mass563.23013632
Topological Polar Surface Area169 Ų
Heavy Atom Count39
Formal Charge0
Complexity899
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

Related Products

CatalogName
AR-D01253-01Darunavir
AR-D05916-01Darunavir Intermediate
AR-D01262-01Darunavir Ethanolate
AR-D01254-01Darunavir-d9
AR-D05996-01Darunavir Dimer Impurity
AR-D02648-01Diamino alchohol Darunavir
AR-D06511-01Darunavir Impurity 24
AR-D02617-01Darunavir propylene glycolate
AR-D01257-01Darunavir-N-Glucuronide
AR-D06521-01Darunavir Impurity 11

Alternative Products

CatalogName
TRC-H931750-25MGHydroxy Darunavir
TRC-H931760-100MG3?-Hydroxy Darunavir
TRC-H931765-100MG4-Hydroxy Darunavir
sc-4913883′-Hydroxy Darunavir
JWB61324-013-Hydroxy darunavir
456733-01N- ((2S,3R) -4- (4-Amino-N-isobutylphenylsulfonamido) -3-hydroxy-1-phenylbutan-2-yl) formamide N-Darunavir
TRC-A612265-10MGN-((2S,3R)-4-(4-Amino-N-isobutylphenylsulfonamido)-3-hydroxy-1-phenylbutan-2-yl)formamide N-Darunavir
TRC-H948130-500MGN-[(1R,2S)-2-Hydroxy-3-[(2-methylpropyl)[(4-nitrophenyl)sulfonyl]amino]-1-(phenylmethyl)propyl]carbamic Acid 1,1-Dimethylethyl Ester (Darunavir Impurity)
sc-488827N-[ (1R,2S) -2-Hydroxy-3-[ (2-methylpropyl) [ (4-nitrophenyl) sulfonyl]amino]-1- (phenylmethyl) propyl]carbamic Acid 1,1-Dimethylethyl Ester (Darunavir Impurity)
TRC-H294000-50MG(3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl-4-(N-((2R,3S)-3-amino-2-hydroxy-4-phenylbutyl)-N-isobutylsulfamoyl)phenylcarbamate (Darunavir Impurity)

Popular Products