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85906-19-0 | [4,5-dibenzoyloxy-2-[(4-methylphenyl)sulfonyloxymethyl]oxan-3-yl] benzoate
CAS No: 85906-19-0 Catalog No: AG004QQS MDL No:
Product Description
Catalog Number:
AG004QQS
Chemical Name:
[4,5-dibenzoyloxy-2-[(4-methylphenyl)sulfonyloxymethyl]oxan-3-yl] benzoate
CAS Number:
85906-19-0
Molecular Formula:
C34H30O10S
Molecular Weight:
630.6610
IUPAC Name:
[4,5-dibenzoyloxy-6-[(4-methylphenyl)sulfonyloxymethyl]oxan-3-yl] benzoate
InChI:
InChI=1S/C34H30O10S/c1-23-17-19-27(20-18-23)45(38,39)41-22-28-30(43-33(36)25-13-7-3-8-14-25)31(44-34(37)26-15-9-4-10-16-26)29(21-40-28)42-32(35)24-11-5-2-6-12-24/h2-20,28-31H,21-22H2,1H3
InChI Key:
DHQKUKUEQIGBNB-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)OCC1OCC(C(C1OC(=O)c1ccccc1)OC(=O)c1ccccc1)OC(=O)c1ccccc1
NSC Number:
231893
Properties
Complexity:
1080
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
630.156g/mol
Formal Charge:
0
Heavy Atom Count:
45
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
630.664g/mol
Monoisotopic Mass:
630.156g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
140A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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