Product name: Buciclovir
Product description:It belongs to the antibiotic families.
CAS No.:86304-28-1
Synonyms:
Buciclovir
Bucyclovir
Buciclovir [INN]
Buciclovirum [Latin]
DHBG-(R)
(R)-9-(3,4-Dihydroxybutyl)guanine
AIDS186620
AIDS189235
R-9-(3,4-Dihydroxybutyl)guanine
AIDS-186620
Structure:
Properties Computed from Structure:
Molecular Weight 239.23122 [g/mol]
Molecular Formula C9H13N5O3
XLogP -1.3
H-Bond Donor 4
H-Bond Acceptor 7
Rotatable Bond Count 4
Tautomer Count 6
Exact Mass 239.101839
MonoIsotopic Mass 239.101839
Topological Polar Surface Area 126
Heavy Atom Count 17
Formal Charge 0
Complexity 335
Isotope Atom Count 0
Defined Atom StereoCenter Count 1
Undefined Atom StereoCenter Count 0
Defined Bond StereoCenter Count 0
Undefined Bond StereoCenter Count 0
Covalently-Bonded Unit Count 1
Descriptors Computed from Structure:
IUPAC Name: 2-amino-9-[(3R)-3,4-dihydroxybutyl]-3H-purin-6-one
Canonical SMILES: C1=NC2=C(N1CCC(CO)O)NC(=NC2=O)N
Isomeric SMILES: C1=NC2=C(N1CC[C@H](CO)O)NC(=NC2=O)N
InChI: InChI=1/C9H13N5O3/c10-9-12-7-6(8(17)13-9)11-4-14(7)2-1-5(16)3-15/h4-5,
15-16H,1-3H2,(H3,10,12,13,17)/t5-/m1/s1/f/h12H,10H2