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Home > Other Heterocycles > 89863-11-6
89863-11-6 | 6,9,17,20,25,28-Hexaoxa-1,3,12,14-tetraazabicyclo[12.8.8]triacontane-2,13-dithione
CAS No: 89863-11-6 Catalog No: AG003WHS MDL No:
Product Description
Catalog Number:
AG003WHS
Chemical Name:
6,9,17,20,25,28-Hexaoxa-1,3,12,14-tetraazabicyclo[12.8.8]triacontane-2,13-dithione
CAS Number:
89863-11-6
Molecular Formula:
C20H38N4O6S2
Molecular Weight:
494.6689
IUPAC Name:
6,9,17,20,25,28-hexaoxa-1,3,12,14-tetrazabicyclo[12.8.8]triacontane-2,13-dithione
InChI:
InChI=1S/C20H38N4O6S2/c31-19-21-1-7-25-13-14-26-8-2-22-20(32)24-5-11-29-17-15-27-9-3-23(19)4-10-28-16-18-30-12-6-24/h1-18H2,(H,21,31)(H,22,32)
InChI Key:
MWKDZTPCXNQIAF-UHFFFAOYSA-N
SMILES:
S=C1NCCOCCOCCNC(=S)N2CCOCCOCCN1CCOCCOCC2
Properties
Complexity:
457
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
494.223g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
494.666g/mol
Monoisotopic Mass:
494.223g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
150A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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