기본 정보
- CAS
97412-77-6- 표준 SMILES
COC(CC(C)C(O)/C=C/C=C/CNC(=O)C(C)(C)C(O)\C(C)=C/C=C\C=C\Cc1cnc(C)o1)C1(O)C(C)C(=O)N(C)C12C(=O)OC2C- InChIKey
AIFNQWJNODEFQR-COCUXNIRSA-N- 분자식
- C37H53N3O9
- 평균 분자량
- 683.8 g/mol
- 단동위원소 질량
- 683.37818028
이름 및 식별자
- 우선 이름
- 4,6,8-Decatrienamide, 3-hydroxy-N-(6-hydroxy-9-(8-hydroxy-1,5,7-trimethyl-3,6-dioxo-2-oxa-5-azaspiro(3.4)oct-8-yl)-9-methoxy-7-methyl-2,4-nonadienyl)-2,2,4-trimethyl-10-(2-methyl-5-oxazolyl)-
- IUPAC
- (4Z,6Z,8E)-3-hydroxy-N-[(2E,4E)-6-hydroxy-9-(8-hydroxy-1,5,7-trimethyl-3,6-dioxo-2-oxa-5-azaspiro[3.4]octan-8-yl)-9-methoxy-7-methylnona-2,4-dienyl]-2,2,4-trimethyl-10-(2-methyl-1,3-oxazol-5-yl)deca-4,6,8-trienamide
- 현지명
- 쿠로마이신B
- 영어명
- curromycin B
- 분자식
- C37H53N3O9
- 분자량
- 683.83
이름 및 동의어
4,6,8-Decatrienamide, 3-hydroxy-N-(6-hydroxy-9-(8-hydroxy-1,5,7-trimethyl-3,6-dioxo-2-oxa-5-azaspiro(3.4)oct-8-yl)-9-methoxy-7-methyl-2,4-nonadienyl)-2,2,4-trimethyl-10-(2-methyl-5-oxazolyl)-IM 8443T(4Z,6Z,8E)-3-hydroxy-N-[(2E,4E)-6-hydroxy-9-(5-hydroxy-1,6,8-trimethyl-3,7-dioxo-2-oxa-8-azaspiro[3.4]octan-5-yl)-9-methoxy-7-methyl-nona-2,4-dienyl]-2,2,4-trimethyl-10-(2-methyloxazol-5-yl)deca-4,6,8-trienamide(4Z,6Z,8E)-3-Hydroxy-N-[(2E,4E)-6-hydroxy-9-(8-hydroxy-1,5,7-trimethyl-3,6-dioxo-2-oxa-5-azaspiro[3.4]octan-8-yl)-9-methoxy-7-methylnona-2,4-dienyl]-2,2,4-trimethyl-10-(2-methyl-1,3-oxazol-5-yl)deca-4,6,8-trienamide쿠로마이신Bcurromycin B30-Demethoxycurromycin A3-Hydroxy-N-[6-hydroxy-9-(8-hydroxy-1,5,7-trimethyl-3,6-dioxo-2-oxa-5-azaspiro[3.4]octan-8-yl)-9-methoxy-7-methyl-2,4-nonadienyl]-2,2,4-trimethyl-10-(2-methyl-5-oxazolyl)-4,6,8-decatrienamide(4E,6E,8E)-3-hydroxy-N-[(2E,4E)-6-hydroxy-9-(8-hydroxy-1,5,7-trimethyl-3,6-dioxo-2-oxa-5-azaspiro[3.4]octan-8-yl)-9-methoxy-7-methylnona-2,4-dienyl]-2,2,4-trimethyl-10-(2-methyl-1,3-oxazol-5-yl)deca-4,6,8-trienamide
물성
구조 계산 물성
- XLogP
- 3.3
- 극성 표면적
- 172 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 16
- 무거운 원자 수
- 49
- 형식 전하
- 0
- 복잡도
- 1,340
물리화학적 성질
- 끓는 점
- 885.071 · 885.071±65.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 1.225 · 1.225±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 산도 계수 (pKa)
- 11.59 · 11.590±0.60(predicted)
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