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Descyclopropyl Abacavir

CAT: 0572-TRC-D288865-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D288865-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
124752-25-6
Synonyms
[(1S,4R)-4-(2,6-Diamino-9H-purin-9-yl)cyclopent-2-enyl]methanol; 2-Cyclopentene-1-methanol, 4-(2,6-diamino-9H-purin-9-yl)-, (1S,4R)-; 2-Cyclopentene-1-methanol, 4-(2,6-diamino-9H-purin-9-yl)-, (1S-cis)-; Descyclopropyl Abacavir; Abacavir Related Compound A (USP); Abacavir Sulfate Imp. C (Ph. Int.); Abacavir Sulfate Imp C (EP); Abacavir Imp. C (EP); Abacavir USP Related Compound A; Abacavir USP RC A; 139U91 (GR92685X); GW 466608X; GW 470921X; GW 403126X; GW 357662X; GW 444710X; Abacavir Related Compound A; Abacavir Sulfate Impurity C; Abacavir Impurity C
Hazard Statement
Causes serious eye damage.
Smiles
Nc1nc(N)c2ncn([C@@H]3C[C@H](CO)C=C3)c2n1
Molecular Formula
C11 H14 N6 O
Molecular Weight
246.27
InChI
InChI=1S/C11H14N6O/c12-9-8-10(16-11(13)15-9)17(5-14-8)7-2-1-6(3-7)4-18/h1-2,5-7,18H,3-4H2,(H4,12,13,15,16)/t6-,7+/m1/s1
Additionnal Information
IUPAC name: [(1S,4R)-4-(2,6-diaminopurin-9-yl)cyclopent-2-en-1-yl]methanol
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

6-Aminocarbovir

structure given in first source; RN from Toxlit

CAS Number124752-25-6
PubChem CID130245
IUPAC Name[(1S,4R)-4-(2,6-diaminopurin-9-yl)cyclopent-2-en-1-yl]methanol
Molecular FormulaC11H14N6O
Molecular Weight246.27
XLogP0
Topological Polar Surface Area116
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count18
Formal Charge0
Complexity337
SMILES
C1[C@@H](C=C[C@@H]1N2C=NC3=C(N=C(N=C32)N)N)CO
InChI
InChI=1S/C11H14N6O/c12-9-8-10(16-11(13)15-9)17(5-14-8)7-2-1-6(3-7)4-18/h1-2,5-7,18H,3-4H2,(H4,12,13,15,16)/t6-,7+/m1/s1
InChIKey
ZKJUXHDSLJYKED-RQJHMYQMSA-N
Chemical Structure
2D Structure
2D structure of 6-Aminocarbovir
CAS: 124752-25-6
CID: 130245
Formula: C11H14N6O
MW: 246.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight246.27
XLogP30
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass246.12290909
Monoisotopic Mass246.12290909
Topological Polar Surface Area116 Ų
Heavy Atom Count18
Formal Charge0
Complexity337
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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