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115116-22-8 | myo-Inositol, 1,2,5,6-tetrakis-O-(phenylmethyl)-
CAS No: 115116-22-8 Catalog No: AG000GAG MDL No:
Product Description
Catalog Number:
AG000GAG
Chemical Name:
myo-Inositol, 1,2,5,6-tetrakis-O-(phenylmethyl)-
CAS Number:
115116-22-8
Molecular Formula:
C34H36O6
Molecular Weight:
540.6460
IUPAC Name:
3,4,5,6-tetrakis(phenylmethoxy)cyclohexane-1,2-diol
InChI:
InChI=1S/C34H36O6/c35-29-30(36)32(38-22-26-15-7-2-8-16-26)34(40-24-28-19-11-4-12-20-28)33(39-23-27-17-9-3-10-18-27)31(29)37-21-25-13-5-1-6-14-25/h1-20,29-36H,21-24H2
InChI Key:
VQNWAWRYJQHLAV-UHFFFAOYSA-N
SMILES:
OC1C(OCc2ccccc2)C(OCc2ccccc2)C(C(C1O)OCc1ccccc1)OCc1ccccc1
Properties
Complexity:
622
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
540.251g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
540.656g/mol
Monoisotopic Mass:
540.251g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
77.4A^2
Undefined Atom Stereocenter Count:
6
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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