3-Pyridineacetic Acid, (3aS,4R,7R,8S,9S,10R,11R,13R,15R,15aR)-10-[[2-O-Acetyl-3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy]-11-[[(3-cyano-1H-pyrrol-1-yl)carbonyl]oxy]-4-ethyltetradecahydro-3a,7,9,11,13,15-hexamethyl-2,6,14-trioxo-2H-oxacyclotetradecino[4,3-d]oxazol-8-yl ester
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기본 정보
- 표준 SMILES
CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)Cc2cccnc2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2OC(C)=O)[C@](C)(OC(=O)n2ccc(C#N)c2)C[C@@H](C)C(=O)[C@H](C)[C@H]2NC(=O)O[C@@]21C- InChIKey
MYLBMNXXCARZTO-HCDAOQFISA-N- 분자식
- C45H61N5O13
- 평균 분자량
- 880 g/mol
이름 및 식별자
- 우선 이름
- 3-Pyridineacetic Acid, (3aS,4R,7R,8S,9S,10R,11R,13R,15R,15aR)-10-[[2-O-Acetyl-3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy]-11-[[(3-cyano-1H-pyrrol-1-yl)carbonyl]oxy]-4-ethyltetradecahydro-3a,7,9,11,13,15-hexamethyl-2,6,14-trioxo-2H-oxacyclotetradecino[4,3-d]oxazol-8-yl ester
- IUPAC
- [(1S,2R,5R,6S,7S,8R,9R,11R,13R,14R)-8-[(2S,3R,4S,6R)-3-acetyloxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-2-ethyl-1,5,7,9,11,13-hexamethyl-4,12,16-trioxo-6-(2-pyridin-3-ylacetyl)oxy-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-9-yl] 3-cyanopyrrole-1-carboxylate
이름 및 동의어
MYLBMNXXCARZTO-HCDAOQFISA-N3-Pyridineacetic Acid, (3aS,4R,7R,8S,9S,10R,11R,13R,15R,15aR)-10-[[2-O-Acetyl-3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy]-11-[[(3-cyano-1H-pyrrol-1-yl)carbonyl]oxy]-4-ethyltetradecahydro-3a,7,9,11,13,15-hexamethyl-2,6,14-trioxo-2H-oxacyclotetradecino[4,3-d]oxazol-8-yl ester3-Pyridineacetic acid, (3aS,4R,7R,8S,9S,10R,11R,13R,15R,15aR)-10-[[2-O-acetyl-3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy]-11-[[(3-cyano-1H-pyrrol-1-yl)carbonyl]oxy]4-ethyltetradecahydro-3a,7,9,11,13,15-hexamethyl-2,6,14-trioxo-2H-oxacyclotetradecino[4,3-d]oxazol-8-yl ester
데이터베이스 식별자
- PubChem CID
- 60066734
물성
구조 계산 물성보충 중
- XLogP
- 4.9
- 극성 표면적
- 224 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 16
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 63
- 형식 전하
- 0
- 복잡도
- 1,740
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