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13096-62-3 | D-Gluconic acid, 2,3,4,6-tetrakis-O-(phenylmethyl)-, δ-lactone
CAS No: 13096-62-3 Catalog No: AG000V6E MDL No:MFCD08703228
Product Description
Catalog Number:
AG000V6E
Chemical Name:
D-Gluconic acid, 2,3,4,6-tetrakis-O-(phenylmethyl)-, δ-lactone
CAS Number:
13096-62-3
Molecular Formula:
C34H34O6
Molecular Weight:
538.6302
MDL Number:
MFCD08703228
IUPAC Name:
(3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-one
InChI:
InChI=1S/C34H34O6/c35-34-33(39-24-29-19-11-4-12-20-29)32(38-23-28-17-9-3-10-18-28)31(37-22-27-15-7-2-8-16-27)30(40-34)25-36-21-26-13-5-1-6-14-26/h1-20,30-33H,21-25H2/t30-,31-,32+,33-/m1/s1
InChI Key:
BUBVLQDEIIUIQG-NXVJRICRSA-N
SMILES:
O=C1O[C@H](COCc2ccccc2)[C@H]([C@@H]([C@H]1OCc1ccccc1)OCc1ccccc1)OCc1ccccc1
Properties
Complexity:
705
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
538.236g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
538.64g/mol
Monoisotopic Mass:
538.236g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
63.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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