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144084-01-5 | β-D-Ribofuranose, 1-acetate 2,3,5-tris(4-chlorobenzoate)
CAS No: 144084-01-5 Catalog No: AG001IVR MDL No:MFCD04039381
Product Description
Catalog Number:
AG001IVR
Chemical Name:
β-D-Ribofuranose, 1-acetate 2,3,5-tris(4-chlorobenzoate)
CAS Number:
144084-01-5
Molecular Formula:
C28H21Cl3O9
Molecular Weight:
607.8199
MDL Number:
MFCD04039381
IUPAC Name:
[(2R,3R,4R,5S)-5-acetyloxy-3,4-bis[(4-chlorobenzoyl)oxy]oxolan-2-yl]methyl 4-chlorobenzoate
InChI:
InChI=1S/C28H21Cl3O9/c1-15(32)37-28-24(40-27(35)18-6-12-21(31)13-7-18)23(39-26(34)17-4-10-20(30)11-5-17)22(38-28)14-36-25(33)16-2-8-19(29)9-3-16/h2-13,22-24,28H,14H2,1H3/t22-,23-,24-,28-/m1/s1
InChI Key:
PWENFUAUZHQOQD-CBUXHAPBSA-N
SMILES:
Clc1ccc(cc1)C(=O)O[C@@H]1[C@@H](COC(=O)c2ccc(cc2)Cl)O[C@H]([C@@H]1OC(=O)c1ccc(cc1)Cl)OC(=O)C
Properties
Complexity:
894
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
606.025g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
607.817g/mol
Monoisotopic Mass:
606.025g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.5
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