Carbamidocyclophane U
기본 정보
- 표준 SMILES
C[C@H]1CCCC[C@H](CCCC(Br)Br)c2c(O)cc(cc2O)[C@H](OC(=N)O)[C@@H](C)CCCC[C@H](CCCC(Br)Br)c2c(O)cc(cc2O)[C@@H]1O- InChIKey
IUDYVLGONCYFPN-PLKRWIMUSA-N- 분자식
- C37H53Br4NO7
- 평균 분자량
- 943.4 g/mol
- 단동위원소 질량
- 939.05555144
개요
Carbamidocyclophane U is a member of phenols.
이름 및 식별자
- 우선 이름
- Carbamidocyclophane U
- IUPAC
- [(2R,3S,8R,13R,14S,19R)-8,19-bis(4,4-dibromobutyl)-10,13,21,24,26-pentahydroxy-3,14-dimethyl-2-tricyclo[18.2.2.29,12]hexacosa-1(22),9,11,20,23,25-hexaenyl] carbamate
이름 및 동의어
Carbamidocyclophane U[(2R,3S,8R,13R,14S,19R)-8,19-bis(4,4-dibromobutyl)-10,13,21,24,26-pentahydroxy-3,14-dimethyl-2-tricyclo[18.2.2.29,12]hexacosa-1(22),9,11,20,23,25-hexaenyl] carbamate(((2R,3S,8R,13R,14S,19R)-8,19-bis(4,4-dibromobutyl)-10,13,21,24,26-pentahydroxy-3,14-dimethyltricyclo(18.2.2.2,)hexacosa-1(22),9,11,20,23,25-hexaen-2-yl)oxy)methanimidate((2R,3S,8R,13R,14S,19R)-8,19-bis(4,4-dibromobutyl)-10,13,21,24,26-pentahydroxy-3,14-dimethyl-2-tricyclo(18.2.2.29,12)hexacosa-1(22),9,11,20,23,25-hexaenyl) carbamate{[(2R,3S,8R,13R,14S,19R)-8,19-bis(4,4-dibromobutyl)-10,13,21,24,26-pentahydroxy-3,14-dimethyltricyclo[18.2.2.2,]hexacosa-1(22),9,11,20,23,25-hexaen-2-yl]oxy}methanimidateRefChem:123433(2R,3S,8R,10R,11S,16R)-8,16-bis(4,4-dibromobutyl)-13,15,92,96,10-pentahydroxy-3,11-dimethyl-1,9(1,4)-dibenzenacyclohexadecaphane-2-yl carbamateCHEBI:211922DTXSID501335495(2R,3S,8R,13R,14S,19R)-8,19-Bis(4,4-dibromobutyl)-10,13,21,24,26-pentahydroxy-3,14-dimethyltricyclo[18.2.2.2~9,12~]hexacosa-1(22),9,11,20,23,25-hexaen-2-yl hydrogen carbonimidate
데이터베이스 식별자
- DTXSID
DTXSID501335495- ChEBI
CHEBI:211922
물성
구조 계산 물성
- XLogP
- 11.8
- 극성 표면적
- 153 Ų
- 수소 결합 공여자 수
- 6
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 49
- 형식 전하
- 0
- 복잡도
- 926
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