기본 정보
- CAS
497-73-4- 표준 SMILES
C[C@@H]1C[C@H](N(C)C)[C@@H](O)[C@H](O[C@H]2[C@@H](C)C[C@@H](C)C(=O)/C=C/[C@@H](C)[C@@H]([C@@H](C)O)OC(=O)[C@@H]2C)O1- InChIKey
UEIVQYHYALXCBD-OTUJEKPESA-N- 분자식
- C25H43NO7
- 평균 분자량
- 469.6 g/mol
- 단동위원소 질량
- 469.30395271
개요
Neomethymycin is a macrolide antibiotic, an enone and a monosaccharide derivative. It has a role as a bacterial metabolite. It is a conjugate base of a neomethymycin(1+).
이름 및 식별자
- 우선 이름
- (3R,4S,5S,7R,9E,11R,12S)-12-((1R)-1-Hydroxyethyl)-3,5,7,11-tetramethyl-4-((3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl)oxy)oxacyclododec-9-ene-2,8-dione
- IUPAC
- (3R,4S,5S,7R,9E,11R,12S)-4-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-12-[(1R)-1-hydroxyethyl]-3,5,7,11-tetramethyl-1-oxacyclododec-9-ene-2,8-dione
- 현지명
- 네오메티마이신
- 영어명
- neomethymycin
- 분자식
- C25H43NO7
- 분자량
- 469.61
이름 및 동의어
Neomethymycin497-73-42BSX67J222CHEBI:29656DTXSID201026558(3R,4S,5S,7R,9E,11R,12S)-4-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-12-[(1R)-1-hydroxyethyl]-3,5,7,11-tetramethyl-1-oxacyclododec-9-ene-2,8-dione(3R,4S,5S,7R,9E,11R,12S)-4-((2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl)oxy-12-((1R)-1-hydroxyethyl)-3,5,7,11-tetramethyl-1-oxacyclododec-9-ene-2,8-dioneRefChem:906040DTXCID801510721(3R,4S,5S,7R,9E,11R,12S)-12-((1R)-1-Hydroxyethyl)-3,5,7,11-tetramethyl-4-((3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl)oxy)oxacyclododec-9-ene-2,8-dioneUNII-2BSX67J222Methymycin, 10-deoxy-12-hydroxy-, (12R)-
이름 더 보기
네오메티마이신Oxacyclododec-9-ene-2,8-dione, 12-[(1R)-1-hydroxyethyl]-3,5,7,11-tetramethyl-4-[[3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranosyl]oxy]-, (3R,4S,5S,7R,9E,11R,12S)-
(12R)-10-Deoxy-12-hydroxymethymycinNEOMETHYMYCIN [MI]SCHEMBL652365CHEMBL521954orb1991914LMPK04000036AKOS040734840T124771
물성
구조 계산 물성
- XLogP
- 2.8
- 극성 표면적
- 106 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 696
실험 및 물리화학적 성질
LipidsPolyketides [PK] -> Macrolides and lactone polyketides [PK04]
물리화학적 성질
- 녹는점
- 156 · 156-158°
- 끓는 점
- 627.8 · 627.8±55.0 °C(Predicted)
- 밀도
- 1.13 · 1.13±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 13.46 · 13.46±0.70(Predicted)
화학 및 산업
공급사1 곳
TargetMol中国（陶术生物）15002134094 · [email protected]
추가 설명
정의ChEBI: A twelve-membered macrolide antibiotic that is biosynthesised by Streptomyces venezuelae.
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