Products for Research Use Only
RegisterLogin

O-Acetyl Abacavir

CAT: 0572-TRC-A416775-50MGSize: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0572-TRC-A416775-50MGSize:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
178456-36-5
Synonyms
2-Cyclopentene-1-methanol, 4-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]-, 1-acetate, (1S,4R)-; 2-Cyclopentene-1-methanol, 4-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]-, acetate (ester), (1S,4R)- (9CI); 2-Cyclopentene-1-methanol, 4-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]-, acetate (ester), (1S-cis)-; O-Acetylabacavir
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
CC(=O)OC[C@H]1C[C@H](C=C1)n2cnc3c(NC4CC4)nc(N)nc23
Molecular Formula
C16 H20 N6 O2
Molecular Weight
328.37
InChI
InChI=1S/C16H20N6O2/c1-9(23)24-7-10-2-5-12(6-10)22-8-18-13-14(19-11-3-4-11)20-16(17)21-15(13)22/h2,5,8,10-12H,3-4,6-7H2,1H3,(H3,17,19,20,21)/t10-,12+/m1/s1
Additionnal Information
IUPAC name: [(1S,4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methyl acetate
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

O-Acetyl Abacavir
CAS Number178456-36-5
PubChem CID10830122
IUPAC Name[(1S,4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methyl acetate
Molecular FormulaC16H20N6O2
Molecular Weight328.37
XLogP1.4
Topological Polar Surface Area108
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count24
Formal Charge0
Complexity511
SMILES
CC(=O)OC[C@H]1C[C@H](C=C1)N2C=NC3=C(N=C(N=C32)N)NC4CC4
InChI
InChI=1S/C16H20N6O2/c1-9(23)24-7-10-2-5-12(6-10)22-8-18-13-14(19-11-3-4-11)20-16(17)21-15(13)22/h2,5,8,10-12H,3-4,6-7H2,1H3,(H3,17,19,20,21)/t10-,12+/m1/s1
InChIKey
IZAFXYKTLWYNFW-PWSUYJOCSA-N
Chemical Structure
2D Structure
2D structure of O-Acetyl Abacavir
CAS: 178456-36-5
CID: 10830122
Formula: C16H20N6O2
MW: 328.37
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight328.37
XLogP31.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass328.16477390
Monoisotopic Mass328.16477390
Topological Polar Surface Area108 Ų
Heavy Atom Count24
Formal Charge0
Complexity511
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
TRC-A105060-25MGAbacavir-1-O-pyrimidine Derivative
TRC-A104990-100MGAbacavir
TRC-A104990-10MGAbacavir
TRC-A104990-50MGAbacavir
TRC-A105000-10MGAbacavir Sulfate
TRC-D288865-10MGDescyclopropyl Abacavir
TRC-A105000-5GAbacavir Sulfate
TRC-A105002-10MGAbacavir-d4
TRC-A105005-1MGAbacavir Carboxylate
TRC-A105002-1MGAbacavir-d4

Alternative Products

CatalogName
sc-221196Abacavir 5'- (2,3,4-Tri-O-isobytyryl) -β-D-glucuronic Acid Methyl Ester
001014Abacavir 5’- (2,3,4-Tri-O-isobytyryl) -β-D-glucuronic Acid Methyl Ester
MBS6048226-01Abacavir 5'-(2,3,4-Tri-O-isobytyryl)-beta-D-glucuronic Acid Methyl Ester
A3139-5.1Abacavir
AR-A01008-01Abacavir Impurity (3-Hydroxy Abacavir)
FD21165-01Descyclopropyl abacavir

Popular Products