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Home > Boronic Acids > 945606-99-5
945606-99-5 | (S)-Boroleucine-(-)-pinanediol-HCl
CAS No: 945606-99-5 Catalog No: AG018Q4F MDL No:MFCD16294355
Product Description
Catalog Number:
AG018Q4F
Chemical Name:
(S)-Boroleucine-(-)-pinanediol-HCl
CAS Number:
945606-99-5
Molecular Formula:
C15H29BClNO2
Molecular Weight:
301.6603
MDL Number:
MFCD16294355
IUPAC Name:
(1S)-3-methyl-1-[(1R,2R,6S,8R)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]butan-1-amine;hydrochloride
InChI:
InChI=1S/C15H28BNO2.ClH/c1-9(2)6-13(17)16-18-12-8-10-7-11(14(10,3)4)15(12,5)19-16;/h9-13H,6-8,17H2,1-5H3;1H/t10-,11-,12+,13-,15-;/m1./s1
InChI Key:
XIWVZUJBIPFACB-PYRZAVJBSA-N
SMILES:
CC(C[C@H](B1O[C@@H]2[C@@](O1)(C)[C@@H]1C[C@H](C2)C1(C)C)N)C.Cl
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
301.198g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
301.662g/mol
Monoisotopic Mass:
301.198g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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