Neo-truxilline

Catalog Number	ACM113350542
CAS Number	113350-54-2
Structure
Molecular Weight	658.8
InChI	InChI=1S/C38H46N2O8/c1-39-23-15-17-25(39)31(35(41)45-3)27(19-23)47-37(43)33-29(21-11-7-5-8-12-21)30(22-13-9-6-10-14-22)34(33)38(44)48-28-20-24-16-18-26(40(24)2)32(28)36(42)46-4/h5-14,23-34H,15-20H2,1-4H3/t23-,24-,25+,26+,27,28,29-,30+,31+,32+,33-,34-/m0/s1
InChI Key	SYSWFFZJNZSEIZ-INQOXXOWSA-N
Purity	95%+
Complexity	1120
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	10
Exact Mass	658.32541643
Heavy Atom Count	48
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	0
Isomeric SMILES	CN1[C@H]2CC[C@@H]1[C@H](C(C2)OC(=O)[C@H]3[C@@H]([C@@H]([C@@H]3C(=O)OC4C[C@@H]5CC[C@H]([C@H]4C(=O)OC)N5C)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)OC
Monoisotopic Mass	658.32541643
PhysicalState	Powder
Rotatable Bond Count	12
Topological Polar Surface Area	112 Ų

Custom Q&A

What is the chemical formula of neo-Truxilline?

The chemical formula of neo-Truxilline is C38H46N2O8.

What is the molar mass of neo-Truxilline?

The molar mass of neo-Truxilline is 658.78 g/mol.

What is the CAS number of neo-Truxilline?

The CAS number of neo-Truxilline is 113350-54-2.

What is the predicted density of neo-Truxilline?

The predicted density of neo-Truxilline is 1.29±0.1 g/cm3.

What is the predicted pka value of neo-Truxilline?

The predicted pka value of neo-Truxilline is 9.09±0.60.

What are some synonyms for neo-Truxilline?

Some synonyms for neo-Truxilline are 1,2-Cyclobutanedicarboxylic acid, 3,4-diphenyl-, 1,2-bis[(1R,2R,3S,5S)-2-(methoxycarbonyl)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl] ester, (1S,2S,3S,4R)-.

. What are the possible stereochemistry configurations of neo-Truxilline?

The possible stereochemistry configurations of neo-Truxilline are (1R,2R,3S,5S) and (1S,2S,3S,4R).

Is neo-Truxilline a solid, liquid, or gas at room temperature?

Neo-Truxilline is a solid at room temperature.

What is the structural feature present in the chemical composition of neo-Truxilline?

The structural feature present in the chemical composition of neo-Truxilline is the 1,2-Cyclobutanedicarboxylic acid moiety.

※ Please kindly note that our products are for research use only.