(S)-BoroAla-(-)-Pinanediol-HCl

• CAS: 497165-13-6
• Catalog Number: ACM497165136
• Category: Boro-Amino Acids
• Molecular Formula: C₁₂H₂₂BNO₂

Custom Q&A

What is the molecular formula of (S)-BoroAla-(-)-Pinanediol-HCl?

The molecular formula is C12H23BClNO2.

What is the molecular weight of (S)-BoroAla-(-)-Pinanediol-HCl?

The molecular weight is 259.58 g/mol.

What is the IUPAC name of (S)-BoroAla-(-)-Pinanediol-HCl?

The IUPAC name is (1S)-1-[(1R,2R,6S,8R)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]ethanamine;hydrochloride.

What is the InChI of (S)-BoroAla-(-)-Pinanediol-HCl?

The InChI is InChI=1S/C12H22BNO2.ClH/c1-7(14)13-15-10-6-8-5-9(11(8,2)3)12(10,4)16-13;/h7-10H,5-6,14H2,1-4H3;1H/t7-,8-,9-,10+,12-;/m1./s1.

What is the InChIKey of (S)-BoroAla-(-)-Pinanediol-HCl?

The InChIKey is UTMUMWPHEOQEQA-IMOBDCPJSA-N.

What is the canonical SMILES of (S)-BoroAla-(-)-Pinanediol-HCl?

The canonical SMILES is B1(OC2CC3CC(C3(C)C)C2(O1)C)C(C)N.Cl.

What is the isomeric SMILES of (S)-BoroAla-(-)-Pinanediol-HCl?

The isomeric SMILES is B1(O[C@H]2C[C@H]3C[C@@H]([C@]2(O1)C)C3(C)C)[C@@H](C)N.Cl.

What is the hydrogen bond donor count of (S)-BoroAla-(-)-Pinanediol-HCl?

The hydrogen bond donor count is 2.

What is the hydrogen bond acceptor count of (S)-BoroAla-(-)-Pinanediol-HCl?

The hydrogen bond acceptor count is 3.

What is the topological polar surface area of (S)-BoroAla-(-)-Pinanediol-HCl?

The topological polar surface area is 44.5Ų.