1-O-Acetyl-2,3,5-tri-O-benzoyl-L-ribose - CAS 26287-72-9

Catalog:	BB061222
Product Name:	1-O-Acetyl-2,3,5-tri-O-benzoyl-L-ribose
CAS:	26287-72-9
Synonyms:	L-Ribofuranose, 1-acetate 2,3,5-tribenzoate; (2S,3R,4R,5R)-2-Acetoxy-5-((benzoyloxy)methyl)tetrahydrofuran-3,4-diyl dibenzoate; 1-O-acetyl-2,3,5-tri-O-benzoyl-L-ribofuranose; 1-O-Acetyl-2-O,3-O,5-O-tribenzoyl-L-ribofuranose

Technical Data

IUPAC Name:	[(2S,3S,4S)-5-acetyloxy-3,4-dibenzoyloxyoxolan-2-yl]methyl benzoate
Description:	1-O-Acetyl-2,3,5-tri-O-benzoyl-L-ribose is an intermediate in the synthesis of L-Adenosine (A291823), an intermediate in the synthesis of (2S,3S,4R,5R)-2-(6-Amino-9H-purin-9-yl)-5-(((3-aminophenyl)thio)methyl)tetrahydrofuran-3,4-diol (A609900), an enantiomer of (2R,3R,4S,5S)-2-(6-Amino-9H-purin-9-yl)-5-(((3-aminophenyl)thio)methyl)tetrahydrofuran-3,4-diol (A577286), which is an intermediate used in the synthesis of S-adenosylhomocysteine analogs with biological activities.
Molecular Weight:	504.48
Molecular Formula:	C28H24O9
Canonical SMILES:	CC(=O)OC1C(C(C(O1)COC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4
InChI:	InChI=1S/C28H24O9/c1-18(29)34-28-24(37-27(32)21-15-9-4-10-16-21)23(36-26(31)20-13-7-3-8-14-20)22(35-28)17-33-25(30)19-11-5-2-6-12-19/h2-16,22-24,28H,17H2,1H3/t22-,23-,24-,28?/m0/s1
InChI Key:	GCZABPLTDYVJMP-SXBSXPTQSA-N
Solubility:	DMSO
Storage:	-20°C
References:	Lawrence, F., et al. Biochem. S-Adenosylmethionine Relat. Compd., Proc. Conf., 637 (1982); Shire, D., et al. Nucleosides & Nucleotides, 2, 21 (1983).

Complexity:	794
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	3
Defined Bond Stereocenter Count:	0
Exact Mass:	504.14203234
Formal Charge:	0
Heavy Atom Count:	37
Hydrogen Bond Acceptor Count:	9
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	504.14203234
Rotatable Bond Count:	12
Topological Polar Surface Area:	114Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	5.6