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Abacavir EP Impurity E

CAT: 1596-AR-A01015-03Size: 50 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-A01015-03Size:50 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
208762-35-0
Synonyms
((1R,3S) -3- (2-amino-6- (cyclopropylamino) -9H-purin-9-yl) cyclopentyl) methanol
Molecular Formula
C14H20N6O
Molecular Weight
288.36
API Name
Abacavir

Chemical Information

(1R,3S)-3-[2-Amino-6-(cyclopropylamino)-9H-purin-9-yl]cyclopentanemethanol
CAS Number208762-35-0
PubChem CID29927453
IUPAC Name[(1R,3S)-3-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopentyl]methanol
Molecular FormulaC14H20N6O
Molecular Weight288.35
XLogP1
Topological Polar Surface Area102
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count21
Formal Charge0
Complexity378
SMILES
C1C[C@@H](C[C@@H]1CO)N2C=NC3=C(N=C(N=C32)N)NC4CC4
InChI
InChI=1S/C14H20N6O/c15-14-18-12(17-9-2-3-9)11-13(19-14)20(7-16-11)10-4-1-8(5-10)6-21/h7-10,21H,1-6H2,(H3,15,17,18,19)/t8-,10+/m1/s1
InChIKey
TYPRESGPNUCUCA-SCZZXKLOSA-N
Chemical Structure
2D Structure
2D structure of (1R,3S)-3-[2-Amino-6-(cyclopropylamino)-9H-purin-9-yl]cyclopentanemethanol
CAS: 208762-35-0
CID: 29927453
Formula: C14H20N6O
MW: 288.35
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight288.35
XLogP31
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass288.16985928
Monoisotopic Mass288.16985928
Topological Polar Surface Area102 Ų
Heavy Atom Count21
Formal Charge0
Complexity378
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

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