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197244-11-4 | Benzenepropanoic acid, α,β-dihydroxy-3,4-bis(phenylmethoxy)-, methyl ester, (αR,βR)-
CAS No: 197244-11-4 Catalog No: AG002AO0 MDL No:
Product Description
Catalog Number:
AG002AO0
Chemical Name:
Benzenepropanoic acid, α,β-dihydroxy-3,4-bis(phenylmethoxy)-, methyl ester, (αR,βR)-
CAS Number:
197244-11-4
Molecular Formula:
C24H24O6
Molecular Weight:
408.4438
IUPAC Name:
methyl (2R,3R)-3-[3,4-bis(phenylmethoxy)phenyl]-2,3-dihydroxypropanoate
InChI:
InChI=1S/C24H24O6/c1-28-24(27)23(26)22(25)19-12-13-20(29-15-17-8-4-2-5-9-17)21(14-19)30-16-18-10-6-3-7-11-18/h2-14,22-23,25-26H,15-16H2,1H3/t22-,23-/m1/s1
InChI Key:
XKHNPJQJVNNUTB-DHIUTWEWSA-N
SMILES:
COC(=O)[C@@H]([C@@H](c1ccc(c(c1)OCc1ccccc1)OCc1ccccc1)O)O
Properties
Complexity:
500
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
408.157g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
408.45g/mol
Monoisotopic Mass:
408.157g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
85.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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