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Home > Boronic Acids > 476334-33-5
476334-33-5 | (R)-BorohomoPhe-(+)-Pinanediol-HCl
CAS No: 476334-33-5 Catalog No: AG00DBSM MDL No:MFCD16038250
Product Description
Catalog Number:
AG00DBSM
Chemical Name:
(R)-BorohomoPhe-(+)-Pinanediol-HCl
CAS Number:
476334-33-5
Molecular Formula:
C19H29BClNO2
Molecular Weight:
349.7031
MDL Number:
MFCD16038250
IUPAC Name:
(1R)-3-phenyl-1-[(1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]propan-1-amine;hydrochloride
InChI:
InChI=1S/C19H28BNO2.ClH/c1-18(2)14-11-15(18)19(3)16(12-14)22-20(23-19)17(21)10-9-13-7-5-4-6-8-13;/h4-8,14-17H,9-12,21H2,1-3H3;1H/t14-,15-,16+,17-,19-;/m0./s1
InChI Key:
LDOJDRFKDPCKPS-KTZYUNSISA-N
SMILES:
N[C@H](B1O[C@H]2[C@](O1)(C)[C@H]1C[C@@H](C2)C1(C)C)CCc1ccccc1.Cl
Properties
Complexity:
451
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
349.198g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
349.706g/mol
Monoisotopic Mass:
349.198g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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