6-Angeloyloxyditropan-3-yl itaconate

Catalog Number	ACM182015050
CAS Number	182015-05-0
Synonyms	Butanedioic acid, methylene-, 1-(8-methyl-8-azabicyclo[3.2.1]oct-3-yl) 4-[8-methyl-6-[(2-methyl-1-oxo-2-butenyl)oxy]-8-azabicyclo[3.2.1]oct-3-yl] ester, stereoisomer (9CI)
Molecular Weight	474.6
InChI	InChI=1S/C26H38N2O6/c1-6-15(2)25(30)34-23-13-19-12-21(14-22(23)28(19)5)32-24(29)9-16(3)26(31)33-20-10-17-7-8-18(11-20)27(17)4/h6,17-23H,3,7-14H2,1-2,4-5H3/b15-6-/t17-,18+,19-,20?,21-,22+,23-/m1/s1
InChI Key	VWKHLWKXXWUJID-WGSXQKLXSA-N
Purity	95%+
Complexity	855
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	6
Exact Mass	474.27298694
Heavy Atom Count	34
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	0
Isomeric SMILES	C/C=C(/C)\C(=O)O[C@@H]1C[C@H]2C[C@H](C[C@@H]1N2C)OC(=O)CC(=C)C(=O)OC3C[C@H]4CC[C@@H](C3)N4C
Monoisotopic Mass	474.27298694
PhysicalState	Powder
Rotatable Bond Count	10
Topological Polar Surface Area	85.4 Ų

Custom Q&A

What is the stereochemistry of 6-Angeloyloxyditropan-3-yl itaconate?

6-Angeloyloxyditropan-3-yl itaconate is described as the ester of a specific bicyclic compound with an itaconate group.

What are the synonyms of 6-Angeloyloxyditropan-3-yl itaconate?

The synonyms of 6-Angeloyloxyditropan-3-yl itaconate are given as 6-Angeloyloxyditropan-3-yl itaconate and Butanedioic acid.

What is the CAS number of 6-Angeloyloxyditropan-3-yl itaconate?

The CAS number of 6-Angeloyloxyditropan-3-yl itaconate is 182015-05-0.

What is the molecular formula of 6-Angeloyloxyditropan-3-yl itaconate?

The molecular formula of 6-Angeloyloxyditropan-3-yl itaconate is C26H38N2O6.

What is the molecular weight of 6-Angeloyloxyditropan-3-yl itaconate?

The molecular weight of 6-Angeloyloxyditropan-3-yl itaconate is 474.6.

What is the predicted boiling point of 6-Angeloyloxyditropan-3-yl itaconate?

The predicted boiling point of 6-Angeloyloxyditropan-3-yl itaconate is 547.8±50.0 °C.

What is the predicted density of 6-Angeloyloxyditropan-3-yl itaconate?

The predicted density of 6-Angeloyloxyditropan-3-yl itaconate is 1.20±0.1 g/cm3.

What is the predicted pKa value of 6-Angeloyloxyditropan-3-yl itaconate?

The predicted pKa value of 6-Angeloyloxyditropan-3-yl itaconate is 10.00±0.40.

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