2,3,4,6-tetra-O-benzoyl-alpha-D-glucopyranosyl-(1->4)-2,3,6-tri-O-benzoyl-alpha-D-glucopyranosyl-(1->4)-2,3,6-tri-O-benzoyl-alpha-D-glucopyranosyl-(1->4)-2,3,6-tri-O-benzoyl-beta-D-glucopyranosylamine
기본 정보
- 표준 SMILES
N[C@@H]1O[C@H](COC(=O)c2ccccc2)[C@@H](O[C@H]2O[C@H](COC(=O)c3ccccc3)[C@@H](O[C@H]3O[C@H](COC(=O)c4ccccc4)[C@@H](O[C@H]4O[C@H](COC(=O)c5ccccc5)[C@@H](OC(=O)c5ccccc5)[C@H](OC(=O)c5ccccc5)[C@H]4OC(=O)c4ccccc4)[C@H](OC(=O)c4ccccc4)[C@H]3OC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1- InChIKey
HWLCKNFVCBCHFP-KEWBKQTCSA-N- 분자식
- C115H95NO33
- 평균 분자량
- 2,019 g/mol
이름 및 식별자
- 우선 이름
- 2,3,4,6-tetra-O-benzoyl-alpha-D-glucopyranosyl-(1->4)-2,3,6-tri-O-benzoyl-alpha-D-glucopyranosyl-(1->4)-2,3,6-tri-O-benzoyl-alpha-D-glucopyranosyl-(1->4)-2,3,6-tri-O-benzoyl-beta-D-glucopyranosylamine
- IUPAC
- [(2R,3R,4S,5R,6R)-6-amino-4,5-dibenzoyloxy-3-[(2R,3R,4S,5R,6R)-3,4-dibenzoyloxy-6-(benzoyloxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4-dibenzoyloxy-6-(benzoyloxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-tribenzoyloxy-6-(benzoyloxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]methyl benzoate
이름 및 동의어
HWLCKNFVCBCHFP-KEWBKQTCSA-N2,3,4,6-tetra-O-benzoyl-alpha-D-glucopyranosyl-(1->4)-2,3,6-tri-O-benzoyl-alpha-D-glucopyranosyl-(1->4)-2,3,6-tri-O-benzoyl-alpha-D-glucopyranosyl-(1->4)-2,3,6-tri-O-benzoyl-beta-D-glucopyranosylamine
데이터베이스 식별자
- PubChem CID
- 86658284
물성
구조 계산 물성
- XLogP
- 19.2
- 극성 표면적
- 433 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 34
- 회전 가능 결합 수
- 49
- 무거운 원자 수
- 149
- 형식 전하
- 0
- 복잡도
- 4,280
관련 반응
1건
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