기본 정보
- 표준 SMILES
CC(=O)OC[C@H]1O[C@H](O[C@@H]2[C@H](OC(C)=O)[C@@H](O[C@@H]3[C@H](OC(C)=O)[C@@H](O[C@@H]4[C@H](OC(C)=O)[C@@H](O[C@@H]5[C@@H](OCCCCCCCCCCCCN=[N+]=[N-])O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]5OC(C)=O)O[C@H](COC(C)=O)[C@H]4OC(C)=O)O[C@H](COC(C)=O)[C@H]3OC(C)=O)O[C@H](COC(C)=O)[C@H]2OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O- InChIKey
MAOJCMJWUZVMEK-CKIOMBTKSA-N- 분자식
- C74H107N3O42
- 평균 분자량
- 1,710.6 g/mol
이름 및 식별자
- 우선 이름
- 12-Azidododecyl 2,3,4,6-tetra-O-acetyl-alpha-D-mannopyranosyl-(1->3)-2,4,6-tri-O-acetyl-alpha-D-mannopyranosyl-(1->3)-2,4,6-tri-O-acetyl-alpha-D-mannopyranosyl-(1->3)-2,4,6-tri-O-acetyl-alpha-D-mannopyranosyl-(1->2)-3,4,6-tri-O-acetyl-alpha-D-mannopyranoside
- IUPAC
- [(2R,3R,4S,5S,6S)-3,4-diacetyloxy-6-(12-azidododecoxy)-5-[(2R,3S,4S,5R,6R)-3,5-diacetyloxy-6-(acetyloxymethyl)-4-[(2R,3S,4S,5R,6R)-3,5-diacetyloxy-6-(acetyloxymethyl)-4-[(2R,3S,4S,5R,6R)-3,5-diacetyloxy-6-(acetyloxymethyl)-4-[(2R,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]methyl acetate
이름 및 동의어
MAOJCMJWUZVMEK-CKIOMBTKSA-N12-Azidododecyl 2,3,4,6-tetra-O-acetyl-alpha-D-mannopyranosyl-(1->3)-2,4,6-tri-O-acetyl-alpha-D-mannopyranosyl-(1->3)-2,4,6-tri-O-acetyl-alpha-D-mannopyranosyl-(1->3)-2,4,6-tri-O-acetyl-alpha-D-mannopyranosyl-(1->2)-3,4,6-tri-O-acetyl-alpha-D-mannopyranoside
데이터베이스 식별자
- PubChem CID
- 45105046
물성
구조 계산 물성
- XLogP
- 3.6
- 극성 표면적
- 527 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 44
- 회전 가능 결합 수
- 59
- 무거운 원자 수
- 119
- 형식 전하
- 0
- 복잡도
- 3,520
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2건
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