기본 정보
- CAS
99541-27-2- 표준 SMILES
COC(=O)[C@H]1O[C@@H](O[C@H]2[C@H](OC(C)=O)[C@@H](N=[N+]=[N-])[C@@H]3OC[C@H]2O3)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1O[C@H]1O[C@H](COC(C)=O)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1N=[N+]=[N-]- InChIKey
ZNKBYQIZKKPZDJ-YZJIZUTBSA-N- 분자식
- C51H56N6O16
- 평균 분자량
- 1,009 g/mol
- 단동위원소 질량
- 1,008.37527972
이름 및 식별자
- 우선 이름
- (2S,3S,4S,5R,6R)-Methyl 6-(((1R,2S,3R,4R,5R)-3-acetoxy-4-azido-6,8-dioxabicyclo[3.2.1]octan-2-yl)oxy)-3-(((2R,3R,4R,5S,6R)-6-(acetoxymethyl)-3-azido-4,5-bis(benzyloxy)tetrahydro-2H-pyran-2-yl)oxy)-4,5-bis(benzyloxy)tetrahydro-2H-pyran-2-carboxylate
- IUPAC
- methyl (2S,3S,4S,5R,6R)-6-[[(1R,2S,3R,4R,5R)-3-acetyloxy-4-azido-6,8-dioxabicyclo[3.2.1]octan-2-yl]oxy]-3-[(2R,3R,4R,5S,6R)-6-(acetyloxymethyl)-3-azido-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)oxane-2-carboxylate
- 영어명
- (2S,3S,4S,5R,6R)-Methyl 6-((1R,2S,3R,4R,5R)-3-acetoxy-4-azido-6,8-dioxabicyclo[3,2,1]octan-2-yloxy)-3-((2R,3R,4R,5R,6R)-6-(acetoxyMethyl)-3-azido-4,5-bis(benzyloxy)tertrahydro-2H-pyran-2-yloxy)-4,5-bis(benzyloxy)tetrahydro-2H-pyran-2-carboxylate
- 분자식
- C51H56N6O16
- 분자량
- 1009.02
이름 및 동의어
(2S,3S,4S,5R,6R)-Methyl 6-(((1R,2S,3R,4R,5R)-3-acetoxy-4-azido-6,8-dioxabicyclo[3.2.1]octan-2-yl)oxy)-3-(((2R,3R,4R,5S,6R)-6-(acetoxymethyl)-3-azido-4,5-bis(benzyloxy)tetrahydro-2H-pyran-2-yl)oxy)-4,5-bis(benzyloxy)tetrahydro-2H-pyran-2-carboxylate99541-27-2O-(6-O-acetyl-2-azide-3,4-di-O-benzyl-2-deoxy-α-D-glucopyranosyl)-(1→4)-O-(methyl2,3-di-O-benzyl-β-D-glucopyranosyluronate)-(1→4)-2-O-acetyl-1,6-anhydro-2-azido-2-deoxy-β-D-glucopyranoseO-(6-O-acetyl-2-azide-3,4-di-O-benzyl-2-deoxy-α-D-glucopyranosyl)-(1→4)-O-(methyl 2,3-di-O-benzyl-β-D-glucopyranosyluronate)-(1→4)-2-O-acetyl-1,6-anhydro-2-azido-2-deoxy-β-D-glucopyranoseβ-D-Glucopyranose, O-6-O-acetyl-2-azido-2-deoxy-3,4-bis-O-(phenylmethyl)-α-D-glucopyranosyl-(1→4)-O-6-methyl-2,3-bis-O-(phenylmethyl)-β-D-glucopyranuronosyl-(1→4)-1,6-anhydro-2-azido-2-deoxy-, 3-acetate(2S,3S,4S,5R,6R)-methyl 6-((1R,2S,3R,4R,5R)-3-acetoxy-4-azido-6,8-dioxabicyclo[3.2.1]octan-2-yloxy)-3-((2R,3R,4R,5S,6R)-6-(acetoxymethyl)-3-azido-4,5-bis(benzyloxy)tetrahydro-2H-pyran-2-yloxy)-4,5-bis(benzyloxy)tetrahydro-2H-pyran-2-carboxylate
물성
구조 계산 물성
- XLogP
- 6.5
- 극성 표면적
- 200 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 20
- 회전 가능 결합 수
- 25
- 무거운 원자 수
- 73
- 형식 전하
- 0
- 복잡도
- 1,850
화학 및 산업
공급사4 곳
上海遐瑞医药科技有限公司+86-021-61551413 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
Shanghai Scibiotron Pharmaceutical Co., Ltd+86-16621589600 · [email protected]
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