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79276-19-0 | 7-Oxa-3,20-diazadispiro[5.1.11.2]heneicosan-21-one,2,2,4,4-tetramethyl-20-[6-(2,2,4,4-tetramethyl-21-oxo-7-oxa-3,20-diazadispiro[5.1.11.2]heneicos-20-yl)hexyl]-
CAS No: 79276-19-0 Catalog No: AG0059XF MDL No:
Product Description
Catalog Number:
AG0059XF
Chemical Name:
7-Oxa-3,20-diazadispiro[5.1.11.2]heneicosan-21-one,2,2,4,4-tetramethyl-20-[6-(2,2,4,4-tetramethyl-21-oxo-7-oxa-3,20-diazadispiro[5.1.11.2]heneicos-20-yl)hexyl]-
CAS Number:
79276-19-0
Molecular Formula:
C50H90N4O4
Molecular Weight:
811.2740
IUPAC Name:
2,2,4,4-tetramethyl-20-[6-(2,2,4,4-tetramethyl-21-oxo-7-oxa-3,20-diazadispiro[5.1.118.26]henicosan-20-yl)hexyl]-7-oxa-3,20-diazadispiro[5.1.118.26]henicosan-21-one
InChI:
InChI=1S/C50H90N4O4/c1-43(2)37-47(38-44(3,4)51-43)41(55)53(49(57-47)31-25-19-15-11-9-12-16-20-26-32-49)35-29-23-24-30-36-54-42(56)48(39-45(5,6)52-46(7,8)40-48)58-50(54)33-27-21-17-13-10-14-18-22-28-34-50/h51-52H,9-40H2,1-8H3
InChI Key:
XZPDGDUEKPCZCY-UHFFFAOYSA-N
SMILES:
O=C1N(CCCCCCN2C(=O)C3(OC42CCCCCCCCCCC4)CC(C)(C)NC(C3)(C)C)C2(OC31CC(C)(C)NC(C3)(C)C)CCCCCCCCCCC2
EC Number:
279-126-5
Properties
Complexity:
1210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
810.696g/mol
Formal Charge:
0
Heavy Atom Count:
58
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
811.294g/mol
Monoisotopic Mass:
810.696g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
12.2
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