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157037-56-4 | α-D-erythro-Pentofuranos-2-ulose, 1,3,5-tribenzoate
CAS No: 157037-56-4 Catalog No: AG001P5Z MDL No:
Product Description
Catalog Number:
AG001P5Z
Chemical Name:
α-D-erythro-Pentofuranos-2-ulose, 1,3,5-tribenzoate
CAS Number:
157037-56-4
Molecular Formula:
C26H20O8
Molecular Weight:
460.4322
IUPAC Name:
[(2R,3R,5R)-3,5-dibenzoyloxy-4-oxooxolan-2-yl]methyl benzoate
InChI:
InChI=1S/C26H20O8/c27-21-22(33-24(29)18-12-6-2-7-13-18)20(16-31-23(28)17-10-4-1-5-11-17)32-26(21)34-25(30)19-14-8-3-9-15-19/h1-15,20,22,26H,16H2/t20-,22-,26-/m1/s1
InChI Key:
XNTDXEVKPQUSSA-RQNQAMLKSA-N
SMILES:
O=C(c1ccccc1)O[C@@H]1[C@@H](COC(=O)c2ccccc2)O[C@@H](C1=O)OC(=O)c1ccccc1
Properties
Complexity:
731
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
460.116g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
460.438g/mol
Monoisotopic Mass:
460.116g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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