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7-Oxa-3,20-diazadispiro(5.1.11.2)heneicosane-20-acetic acid, 2,2,4,4-tetramethyl-21-oxo-, 2,2-bis((((2,2,4,4-tetramethyl-21-oxo-7-oxa-3,20-diazadispiro(5.1.11.2)heneicos-20-yl)acetyl)oxy)methyl)-1,3-propanediyl ester

HCID 44148697
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Basic information

CAS
95008-91-6
Standard SMILES
CC1(C)CC2(CC(C)(C)N1)OC1(CCCCCCCCCCC1)N(CC(=O)OCC(COC(=O)CN1C(=O)C3(CC(C)(C)NC(C)(C)C3)OC13CCCCCCCCCCC3)(COC(=O)CN1C(=O)C3(CC(C)(C)NC(C)(C)C3)OC13CCCCCCCCCCC3)COC(=O)CN1C(=O)C3(CC(C)(C)NC(C)(C)C3)OC13CCCCCCCCCCC3)C2=O
InChIKey
UOZXPPANHBBKTC-UHFFFAOYSA-N
Molecular formula
C101H172N8O16
Average molar mass
1,754.5 g/mol
Monoisotopic mass
1,753.28913143

Names & identifiers

Preferred name
7-Oxa-3,20-diazadispiro(5.1.11.2)heneicosane-20-acetic acid, 2,2,4,4-tetramethyl-21-oxo-, 2,2-bis((((2,2,4,4-tetramethyl-21-oxo-7-oxa-3,20-diazadispiro(5.1.11.2)heneicos-20-yl)acetyl)oxy)methyl)-1,3-propanediyl ester
IUPAC
[3-[2-(2,2,4,4-tetramethyl-21-oxo-7-oxa-3,20-diazadispiro[5.1.118.26]henicosan-20-yl)acetyl]oxy-2,2-bis[[2-(2,2,4,4-tetramethyl-21-oxo-7-oxa-3,20-diazadispiro[5.1.118.26]henicosan-20-yl)acetyl]oxymethyl]propyl] 2-(2,2,4,4-tetramethyl-21-oxo-7-oxa-3,20-diazadispiro[5.1.118.26]henicosan-20-yl)acetate
English name
7-Oxa-3,20-diazadispiro[5.1.11.2]heneicosane-20-acetic acid, 2,2,4,4-tetramethyl-21-oxo-, 2,2-bis[[[(2,2,4,4-tetramethyl-21-oxo-7-oxa-3,20-diazadispiro[5.1.11.2]heneicos-20-yl)acetyl]oxy]methyl]-1,3-propanediyl ester
Molecular formula
C101H172N8O16
Molecular weight
1754.49038

Names & synonyms

95008-91-6EINECS 305-718-07-Oxa-3,20-diazadispiro(5.1.11.2)heneicosane-20-acetic acid, 2,2,4,4-tetramethyl-21-oxo-, 2,2-bis((((2,2,4,4-tetramethyl-21-oxo-7-oxa-3,20-diazadispiro(5.1.11.2)heneicos-20-yl)acetyl)oxy)methyl)-1,3-propanediyl ester7-Oxa-3,20-diazadispiro[5.1.11.2]heneicosane-20-acetic acid, 2,2,4,4-tetramethyl-21-oxo-, 2,2-bis[[[(2,2,4,4-tetramethyl-21-oxo-7-oxa-3,20-diazadispiro[5.1.11.2]heneicos-20-yl)acetyl]oxy]methyl]-1,3-propanediyl esterRefChem:106502305-718-0UOZXPPANHBBKTC-UHFFFAOYSA-NDTXSID0010982007-Oxa-3,20-diazadispiro[5.1.11.2]heneicosane-20-aceticacid,2,2,4,4-tetramethyl-21-oxo-,2,2-bis[[[(2,2,4,4-tetramethyl-21-oxo-7-oxa-3,20-diazadispiro[5.1.11.2]heneicos-20-yl)acetyl]oxy]methyl]-1,3-proEINECS 305-718-0, 7-Oxa-3,20-diazadispiro(5.1.11.2)heneicosane-20-acetic acid, 2,2,4,4-tetramethyl-21-oxo-, 2,2-bis((((2,2,4,4-tetramethyl-21-oxo-7-oxa-3,20-diazadispiro(5.1.11.2)heneicos-20-yl)acetyl)oxy)methyl)-1,3-propanediyl ester, 95008-91-6[3-[2-(2,2,4,4-tetramethyl-21-oxo-7-oxa-3,20-diazadispiro[5.1.11^{8}.2^{6}]henicosan-20-yl)acetyl]oxy-2,2-bis[[2-(2,2,4,4-tetramethyl-21-oxo-7-oxa-3,20-diazadispiro[5.1.11^{8}.2^{6}]henicosan-20-yl)acetyl]oxymethyl]propyl] 2-(2,2,4,4-tetramethyl-21-oxo-7-oxa-3,20-diazadispiro[5.1.11^{8}.2^{6}]henicosan-20-yl)acetate

Database identifiers

CAS
95008-91-6
PubChem CID
44148697
DTXSID
DTXSID001098200
EC Number
305-718-0
Nikkaji
J326.309F

Properties

Computed structural properties

XLogP
21.1
Topological polar surface area
271 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
20
Rotatable bonds
20
Heavy atoms
125
Formal charge
0
Complexity
3,130

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