Phalenopsine La

Catalog Number	ACM23412999-1
CAS Number	23412-99-9
Structure
Synonyms	(2S)-2-Hydroxy-2-benzylbutanedioic acid 1-[[(4S,5R)-1-azabicyclo[3.3.0]octan-4-yl]methyl]4-methyl ester
Molecular Weight	361.4
InChI	InChI=1S/C20H27NO5/c1-25-18(22)13-20(24,12-15-6-3-2-4-7-15)19(23)26-14-16-9-11-21-10-5-8-17(16)21/h2-4,6-7,16-17,24H,5,8-14H2,1H3/t16-,17-,20+/m1/s1
InChI Key	DGURJYWVIFRGSZ-HLIPFELVSA-N
Melting Point	125-135 °C
Purity	95%+
Complexity	504
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	3
Exact Mass	361.18892296
Heavy Atom Count	26
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isomeric SMILES	COC(=O)C[C@@](CC1=CC=CC=C1)(C(=O)OC[C@H]2CCN3[C@@H]2CCC3)O
Monoisotopic Mass	361.18892296
PhysicalState	Powder
Rotatable Bond Count	9
Topological Polar Surface Area	76.1 Ų

Custom Q&A

What is the full chemical name of Phalenopsine La?

The full chemical name of Phalenopsine La is (2S)-2-Hydroxy-2-benzylbutanedioic acid 1-[[(4S,5R)-1-azabicyclo[3.3.0]octan-4-yl]methyl]4-methyl ester.

What are some synonyms for Phalenopsine La?

Some synonyms for Phalenopsine La are Phalaenopsine La, Phalenopsine La, and Butanedioic acid, 2-hydroxy-2-(phenylmethyl)-, 1-[[(1S,7aR)-hexahydro-1H-pyrrolizin-1-yl]methyl] 4-methyl ester, (2R)-.

What is the CAS number of Phalenopsine La?

The CAS number of Phalenopsine La is 23412-99-9.

What is the molecular formula of Phalenopsine La?

The molecular formula of Phalenopsine La is C20H27NO5.

What is the molecular weight of Phalenopsine La?

The molecular weight of Phalenopsine La is 361.43.

What is the melting point of Phalenopsine La?

The melting point of Phalenopsine La is 125-135°C.

What is the predicted boiling point of Phalenopsine La?

The predicted boiling point of Phalenopsine La is 501.0±50.0°C.

What is the predicted density of Phalenopsine La?

The predicted density of Phalenopsine La is 1.23±0.1 g/cm3.

What is the predicted pka value of Phalenopsine La?

The predicted pka value of Phalenopsine La is 11.67±0.29.

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