178455-03-3 Purity
97+%
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Specification
The molecular formula of (R)-BoroPhe-(+)-Pinanediol is C18H27BClNO2.
The molecular weight of (R)-BoroPhe-(+)-Pinanediol is 335.7 g/mol.
The IUPAC name of (R)-BoroPhe-(+)-Pinanediol is (1R)-2-phenyl-1-[(1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.0 2,6 ]decan-4-yl]ethanamine;hydrochloride.
The InChI of (R)-BoroPhe-(+)-Pinanediol is InChI=1S/C18H26BNO2.ClH/c1-17(2)13-10-14(17)18(3)15(11-13)21-19(22-18)16(20)9-12-7-5-4-6-8-12;/h4-8,13-16H,9-11,20H2,1-3H3;1H/t13-,14-,15+,16-,18-;/m0./s1.
The InChIKey of (R)-BoroPhe-(+)-Pinanediol is CXRPMGWYFYLFMY-SKAYQWHWSA-N.
The Canonical SMILES of (R)-BoroPhe-(+)-Pinanediol is B1(OC2CC3CC(C3(C)C)C2(O1)C)C(CC4=CC=CC=C4)N.Cl.
The Isomeric SMILES of (R)-BoroPhe-(+)-Pinanediol is B1(O[C@@H]2C[C@@H]3C[C@H]([C@@]2(O1)C)C3(C)C)[C@H](CC4=CC=CC=C4)N.Cl.
The CAS number of (R)-BoroPhe-(+)-Pinanediol is 178455-03-3.
The hydrogen bond donor count of (R)-BoroPhe-(+)-Pinanediol is 2.
The hydrogen bond acceptor count of (R)-BoroPhe-(+)-Pinanediol is 3.