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721924-26-1 | Rubidium Ionophore I
CAS No: 721924-26-1 Catalog No: AG005JGK MDL No:
Product Description
Catalog Number:
AG005JGK
Chemical Name:
Rubidium Ionophore I
CAS Number:
721924-26-1
Molecular Formula:
C42H34O8
Molecular Weight:
666.7146
IUPAC Name:
6,9,12,33,36,39-hexaoxaoctacyclo[42.3.1.05,47.013,22.016,21.023,32.024,29.040,45]octatetraconta-1(47),2,4,13(22),14,16,18,20,23(32),24,26,28,30,40,42,44-hexadecaene-46,48-dione
InChI:
InChI=1S/C42H34O8/c43-41-31-11-5-13-33-39(31)42(44)40-32(41)12-6-14-34(40)48-24-20-46-22-26-50-36-18-16-28-8-2-4-10-30(28)38(36)37-29-9-3-1-7-27(29)15-17-35(37)49-25-21-45-19-23-47-33/h1-18H,19-26H2
InChI Key:
BTGQLABSOYZCLX-UHFFFAOYSA-N
SMILES:
O=C1c2c3OCCOCCOc4ccc5c(c4c4c(OCCOCCOc6c1c(C(=O)c2ccc3)ccc6)ccc1c4cccc1)cccc5
Properties
Complexity:
1050
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
666.225g/mol
Formal Charge:
0
Heavy Atom Count:
50
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
666.726g/mol
Monoisotopic Mass:
666.225g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
89.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.1
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