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1461750-25-3 | D-Gluconic acid, 6-deoxy-2,3,4-tris-O-(phenylmethyl)-, δ-lactone
CAS No: 1461750-25-3 Catalog No: AG001DRR MDL No:
Product Description
Catalog Number:
AG001DRR
Chemical Name:
D-Gluconic acid, 6-deoxy-2,3,4-tris-O-(phenylmethyl)-, δ-lactone
CAS Number:
1461750-25-3
Molecular Formula:
C27H28O5
Molecular Weight:
432.5082
IUPAC Name:
(3R,4S,5R,6R)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-one
InChI:
InChI=1S/C27H28O5/c1-20-24(29-17-21-11-5-2-6-12-21)25(30-18-22-13-7-3-8-14-22)26(27(28)32-20)31-19-23-15-9-4-10-16-23/h2-16,20,24-26H,17-19H2,1H3/t20-,24-,25+,26-/m1/s1
InChI Key:
SFKYGYRKFMUHAD-YEHREXKJSA-N
SMILES:
C[C@H]1OC(=O)[C@@H]([C@H]([C@@H]1OCc1ccccc1)OCc1ccccc1)OCc1ccccc1
Properties
Complexity:
548
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
432.194g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
432.516g/mol
Monoisotopic Mass:
432.194g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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