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138253-21-1 | Pyrano[4,3-c]pyran-3,7-diol, 1,5-bis(1,3-benzodioxol-5-yl)octahydro-
CAS No: 138253-21-1 Catalog No: AG0018E3 MDL No:
Product Description
Catalog Number:
AG0018E3
Chemical Name:
Pyrano[4,3-c]pyran-3,7-diol, 1,5-bis(1,3-benzodioxol-5-yl)octahydro-
CAS Number:
138253-21-1
Molecular Formula:
C22H22O8
Molecular Weight:
414.4053
IUPAC Name:
1,5-bis(1,3-benzodioxol-5-yl)-1,3,4,4a,5,7,8,8a-octahydropyrano[4,3-c]pyran-3,7-diol
InChI:
InChI=1S/C22H22O8/c23-19-8-14-13(21(29-19)11-1-3-15-17(5-11)27-9-25-15)7-20(24)30-22(14)12-2-4-16-18(6-12)28-10-26-16/h1-6,13-14,19-24H,7-10H2
InChI Key:
PRWOFFZKNGLLPH-UHFFFAOYSA-N
SMILES:
OC1CC2C(OC(CC2C(O1)c1ccc2c(c1)OCO2)O)c1ccc2c(c1)OCO2
Properties
Complexity:
566
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
414.131g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
414.41g/mol
Monoisotopic Mass:
414.131g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
95.8A^2
Undefined Atom Stereocenter Count:
6
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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