(4E,6E,8E,10Z,12Z,14E,16E)-3-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-23,27,29,31,33,35,37-heptahydroxy-19-[4-hydroxy-1-methyl-6-[4-(methylamino)phenyl]-6-oxo-hexyl]-18-methyl-N-(2-morpholinoethyl)-21,25-dioxo-20,39-dioxabicyclo[33.3.1]nonatriaconta-4,6,8,10,12,14,16-heptaene-38-carboxamide
기본 정보
- CAS
137042-51-4- 표준 SMILES
CNc1ccc(C(=O)CC(O)CCC(C)C2OC(=O)CC(O)CC(=O)CC(O)CC(O)CC(O)CC(O)CC3(O)CC(O)C(C(=O)NCCN4CCOCC4)C(CC(O[C@@H]4O[C@H](C)[C@@H](O)[C@H](N)[C@@H]4O)/C=C/C=C/C=C/C=C\C=C/C=C/C=C/C2C)O3)cc1- InChIKey
WWXGACATRGYDFZ-KHHAVWKHSA-N- 분자식
- C65H98N4O19
- 평균 분자량
- 1,239.5 g/mol
- 단동위원소 질량
- 1,238.68252691
이름 및 식별자
- 우선 이름
- (4E,6E,8E,10Z,12Z,14E,16E)-3-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-23,27,29,31,33,35,37-heptahydroxy-19-[4-hydroxy-1-methyl-6-[4-(methylamino)phenyl]-6-oxo-hexyl]-18-methyl-N-(2-morpholinoethyl)-21,25-dioxo-20,39-dioxabicyclo[33.3.1]nonatriaconta-4,6,8,10,12,14,16-heptaene-38-carboxamide
- IUPAC
- (19E,21E,23Z,25Z,27E,29E,31E)-33-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,5,7,9,13,37-heptahydroxy-17-[5-hydroxy-7-[4-(methylamino)phenyl]-7-oxoheptan-2-yl]-18-methyl-N-(2-morpholin-4-ylethyl)-11,15-dioxo-16,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxamide
이름 및 동의어
Partricin A morpholinoethylamideNSC722654137042-51-4(4E,6E,8E,10Z,12Z,14E,16E)-3-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-23,27,29,31,33,35,37-heptahydroxy-19-[4-hydroxy-1-methyl-6-[4-(methylamino)phenyl]-6-oxo-hexyl]-18-methyl-N-(2-morpholinoethyl)-21,25-dioxo-20,39-dioxabicyclo[33.3.1]nonatriaconta-4,6,8,10,12,14,16-heptaene-38-carboxamide16,39-Dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxamide, 33-[(3-amino-3,6-dideoxy-beta-D-mannopyranosyl)oxy]-1,3,5,7,9,13,37-heptahydroxy-17-[4-hydroxy-1-methyl-6-[4-(methylamino)phenyl]-6-oxohexyl]-18-methyl-N-[2-(4-morpholinyl)ethyl]-11,15-dioxo-, (19E,21E,23Z,25Z,27E,29E,31E)-
데이터베이스 식별자
- CAS
137042-51-4- PubChem CID
- 6479630
물성
구조 계산 물성
- XLogP
- 2.7
- 극성 표면적
- 370 Ų
- 수소 결합 공여자 수
- 13
- 수소 결합 수용자 수
- 22
- 회전 가능 결합 수
- 14
- 무거운 원자 수
- 88
- 형식 전하
- 0
- 복잡도
- 2,320
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