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123702-97-6 | 1,3-Benzenediol, 5-[(6R)-5,6-dihydro-6-(1-hydroxy-1-methylethyl)benzo[1,2-b:5,4-b']difuran-2-yl]-
CAS No: 123702-97-6 Catalog No: AG000KYT MDL No:
Product Description
Catalog Number:
AG000KYT
Chemical Name:
1,3-Benzenediol, 5-[(6R)-5,6-dihydro-6-(1-hydroxy-1-methylethyl)benzo[1,2-b:5,4-b']difuran-2-yl]-
CAS Number:
123702-97-6
Molecular Formula:
C19H18O5
Molecular Weight:
326.3432
IUPAC Name:
5-[(6R)-6-(2-hydroxypropan-2-yl)-5,6-dihydrofuro[3,2-f][1]benzofuran-2-yl]benzene-1,3-diol
InChI:
InChI=1S/C19H18O5/c1-19(2,22)18-7-11-3-10-6-15(23-16(10)9-17(11)24-18)12-4-13(20)8-14(21)5-12/h3-6,8-9,18,20-22H,7H2,1-2H3/t18-/m1/s1
InChI Key:
HMTMYIWMPJSCAZ-GOSISDBHSA-N
SMILES:
Oc1cc(O)cc(c1)c1oc2c(c1)cc1c(c2)O[C@H](C1)C(O)(C)C
Properties
Complexity:
457
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
326.115g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
326.348g/mol
Monoisotopic Mass:
326.115g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| HIF-1α inhibitors: synthesis and biological evaluation of novel moracin O and P analogues. | European journal of medicinal chemistry 20110601 |
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