(R)-BoroLeu-(+)-피난디올-HCl

(R)-BoroLeu-(+)-Pinanediol hydrochloride

HCID 46911940

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 779357-85-6
표준 SMILES: CC(C)C[C@H](N)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1.Cl
InChIKey: XIWVZUJBIPFACB-CDVUYJLHSA-N
분자식: C15H29BClNO2
평균 분자량: 301.7 g/mol
단동위원소 질량: 301.19798725

이름 및 식별자

우선 이름: (R)-BoroLeu-(+)-Pinanediol hydrochloride
IUPAC: (1R)-3-methyl-1-[(1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]butan-1-amine;hydrochloride
현지명: (R)-BoroLeu-(+)-피난디올-HCl
영어명: (R)-BoroLeu-(+)-Pinanediol-HCl
분자식: C15H28BNO2.ClH
분자량: 301.663

이름 및 동의어

779357-85-6(R)-BoroLeu-(+)-Pinanediol hydrochloride(R)-BOROLEU-(+)-PINANEDIOL-HCLMFCD09841187(1R)-3-methyl-1-[(1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]butan-1-amine;hydrochloride(alphaR)-(1S,2S,3R,5S)-Pinanediol-1-amino-3-methylbutane-1-boronate Hydrochloride(R)-3-methyl-1-((3aS,4S,6S,7aR)-3a,5,5-trimethylhexahydro-4,6-methanobenzo[d][1,3,2]dioxaborol-2-yl)butan-1-amine hydrochloride945606-99-5(alphaS,3aS,4S,6S,7aR)-Hexahydro-3a,8,8-trimethyl-alpha-(2-methylpropyl)-4,6-Methano-1,3,2-benzodioxaborole-2-methanamine HydrochlorideXIWVZUJBIPFACB-CDVUYJLHSA-N(R)-BoroLeu-(+)-PinanediolhydrochlorideSCHEMBL29846558

이름 더 보기

(R)-BoroLeu-(+)-피난디올-HCl(R)-BoroLeu-(+)-Pinanediol-hydrochloride(r)-1-amino-3-methylbutylboronic acid pinanediol ester(1R)-(1S,2S,3R,5S)-Pinanediol-1-amino-3-methylbutane-1-boronate, HCl(R)-1-Amino-3-methylbutylboronic acid pinanediol ester hydrochloride(αR)-(1S,2S,3R,5S)-Pinanediol-1-amino-3-methylbutane-1-boronate Hydrochloride(1R)-3-methyl-1-[(1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]butan-1-amine(αR,3aS,4S,6S,7aR)-Hexahydro-3a,5,5-triMethyl-α-(2-Methylpropyl)-4,6-Methano-1,3,2-benzodioxaborole-2-MethanaMine Hydrochloride4,6-Methano-1,3,2-benzodioxaborole-2-methanamine,hexahydro-3a,5,5-trimethyl-a-(2-methylpropyl)-, hydrochloride (1:1), (aR,3aS,4S,6S,7aR)-

DTXSID70677288AKOS015900268AC-4706FB30987DS-15336CS-0312357A11607F219525

데이터베이스 식별자

CAS: 779357-85-6
PubChem CID: 46911940
DTXSID: DTXSID70677288

물성

구조 계산 물성

극성 표면적: 44.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 20
형식 전하: 0
복잡도: 373

물리화학적 성질

녹는점: 176 · 176-178 °C
저장 조건: Sealed in dry,Room Temperature
용해도: 디메틸포름아미드, 에탄올, 메탄올, 테트라히드로푸란에 용해됨
물리적 상태: 고체
색상: 회백색
InChI: InChI=1/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-;/s3
InChIKey: XIWVZUJBIPFACB-XXOUUVOINA-N
SMILES: [C@@]12(C)[C@@]([H])(C[C@@]3(C[C@@]1([H])C3(C)C)[H])OB([C@@H](N)CC(C)C)O2.Cl |&1:0,2,5,7,15,r|