기본 정보
- CAS
36505-48-3- 표준 SMILES
CC[C@@H]1O[C@@H]([C@]2(C)C[C@@H](C)[C@](O)([C@]3(C)CC[C@@H]([C@@H](O)[C@]4(O)O[C@H](C[C@@]5(O)O[C@@H]([C@@H](C)[C@H](O)C[C@H]6CC[C@H](C)[C@@H]([C@@H](C)C(=O)O)O6)CC[C@@H]5C)[C@@H](C)C[C@H]4C)O3)O2)CC[C@@]1(C)O- InChIKey
XSBSGLXIQBCTKN-SARHNJKISA-N- 분자식
- C47H82O14
- 평균 분자량
- 871.1 g/mol
- 단동위원소 질량
- 870.57045729
개요
X-206 is an oligosaccharide.
이름 및 식별자
- 우선 이름
- Desmethylalborixin
- IUPAC
- (2R)-2-[(2S,3S,6R)-6-[(2R,3S)-3-[(2R,5S,6R)-6-[[(2R,3S,5R,6R)-6-[(R)-[(2S,5S)-5-[(2R,3R,5S)-5-[(2R,5R,6S)-6-ethyl-5-hydroxy-5-methyloxan-2-yl]-2-hydroxy-3,5-dimethyloxolan-2-yl]-5-methyloxolan-2-yl]-hydroxymethyl]-6-hydroxy-3,5-dimethyloxan-2-yl]methyl]-6-hydroxy-5-methyloxan-2-yl]-2-hydroxybutyl]-3-methyloxan-2-yl]propanoic acid
이름 및 동의어
DESMETHYLALBORIXIN36505-48-3X-206X-206DISCONTINUEDCHEBI:80126DTXSID201381299Q27149260(2R)-2-[(2S,3S,6R)-6-[(2R,3S)-3-[(2R,5S,6R)-6-[[(2R,3S,5R,6R)-6-[(R)-[(2S,5S)-5-[(2R,3R,5S)-5-[(2R,5R,6S)-6-Ethyl-5-hydroxy-5-methyloxan-2-yl]-2-hydroxy-3,5-dimethyloxolan-2-yl]-5-methyloxolan-2-yl]-hydroxymethyl]-6-hydroxy-3,5-dimethyloxan-2-yl]methyl]-6-hydroxy-5-methyloxan-2-yl]-2-hydroxybutyl]-3-methyloxan-2-yl]propanoic acid
데이터베이스 식별자
- CAS
36505-48-3- PubChem CID
- 9854219
- DTXSID
DTXSID201381299- ChEBI
CHEBI:80126- Nikkaji
- J39.489K
물성
구조 계산 물성
- XLogP
- 5.2
- 극성 표면적
- 214 Ų
- 수소 결합 공여자 수
- 7
- 수소 결합 수용자 수
- 14
- 회전 가능 결합 수
- 13
- 무거운 원자 수
- 61
- 형식 전하
- 0
- 복잡도
- 1,520
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