기본 정보
- CAS
81604-73-1- 표준 SMILES
CCC(=O)C1(C)OC1C(C)CC(C)C1OC(=O)CC2(O)CC=C(C)C(O2)/C(C)=C/CCCC(OC2CC(OC(N)=O)C(O)C(C)O2)/C=C/C(C)C(O)C1C- InChIKey
VROYMKJUVCKXBU-HDTXIYAQSA-N- 분자식
- C41H65NO12
- 평균 분자량
- 764 g/mol
- 단동위원소 질량
- 763.45067651
이름 및 식별자
- 우선 이름
- Irumamycin
- IUPAC
- [6-[[(9E,15E)-1,7-dihydroxy-6,8,16,18-tetramethyl-5-[4-(3-methyl-3-propanoyloxiran-2-yl)pentan-2-yl]-3-oxo-4,21-dioxabicyclo[15.3.1]henicosa-9,15,18-trien-11-yl]oxy]-3-hydroxy-2-methyloxan-4-yl] carbamate
- 현지명
- 이루마이신
- 영어명
- Irumamycin
- 분자식
- C41H65NO12
- 분자량
- 763.95
이름 및 동의어
Irumamycin81604-73-1[6-[[(9E,15E)-1,7-dihydroxy-6,8,16,18-tetramethyl-5-[4-(3-methyl-3-propanoyloxiran-2-yl)pentan-2-yl]-3-oxo-4,21-dioxabicyclo[15.3.1]henicosa-9,15,18-trien-11-yl]oxy]-3-hydroxy-2-methyloxan-4-yl] carbamateDTXSID201318355(6-(((9E,15E)-1,7-dihydroxy-6,8,16,18-tetramethyl-5-(4-(3-methyl-3-propanoyloxiran-2-yl)pentan-2-yl)-3-oxo-4,21-dioxabicyclo(15.3.1)henicosa-9,15,18-trien-11-yl)oxy)-3-hydroxy-2-methyloxan-4-yl) carbamateRefChem:923582Venturicidin B, 23-deoxy-23,24-epoxy-17-hydroxy-, 3'-carbamateDTXCID201748166NSC374130SCHEMBL2712031VROYMKJUVCKXBU-HDTXIYAQSA-NTN7708
이름 더 보기
이루마이신23-Deoxy-23,24-epoxy-17-hydroxyventuricidin B 3'-carbamate4,21-Dioxabicyclo[15.3.1]heneicosa-9,15,18-trien-3-one, 11-[[3-O-(aminocarbonyl)-2,6-dideoxy-β-D-arabino-hexopyranosyl]oxy]-1,7-dihydroxy-6,8,16,18-tetramethyl-5-[(1R,3R)-1-methyl-3-[3-methyl-3-(1-oxopropyl)-2-oxiranyl]butyl]-, (1R,5R,6R,8S,9E,11R,15E,17R)-
NSC-374130(9E,15E)-1,7-Dihydroxy-6,8,16,18-tetramethyl-5-[4-(3-methyl-3-propanoyloxiran-2-yl)pentan-2-yl]-3-oxo-4,21-dioxabicyclo[15.3.1]henicosa-9,15,18-trien-11-yl 3-O-carbamoyl-2,6-dideoxyhexopyranoside
데이터베이스 식별자
- CAS
81604-73-1- PubChem CID
- 5385011
- DTXSID
DTXSID201318355
물성
구조 계산 물성
- XLogP
- 4.1
- 극성 표면적
- 197 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 54
- 형식 전하
- 0
- 복잡도
- 1,410
물리화학적 성질
- 끓는 점
- 886.1 · 886.1±65.0 °C(Predicted)
- 밀도
- 1.21 · 1.21±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 11.82 · 11.82±0.70(Predicted)
화학 및 산업
공급사2 곳
武汉博欧特生物科技有限公司+44 (0)1223 859 353 · [email protected]
CHEMICAL LAND21[email protected]
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