기본 정보
- CAS
501089-97-0- 표준 SMILES
COC(=O)[C@@H]1O[C@@H](O[C@H]2[C@H](OCc3ccccc3)[C@@H](N=[N+]=[N-])[C@@H](OC)O[C@@H]2COC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1O- InChIKey
HMTVMALFPJQRAX-QCIZPTTQSA-N- 분자식
- C42H43N3O13
- 평균 분자량
- 797.8 g/mol
- 단동위원소 질량
- 797.27958843
이름 및 식별자
- 우선 이름
- methyl (2R,3S,4S,5R,6R)-6-[(2R,3S,4R,5R,6S)-5-azido-2-(benzoyloxymethyl)-6-methoxy-4-phenylmethoxyoxan-3-yl]oxy-5-benzoyloxy-3-hydroxy-4-phenylmethoxyoxane-2-carboxylate
- IUPAC
- methyl (2R,3S,4S,5R,6R)-6-[(2R,3S,4R,5R,6S)-5-azido-2-(benzoyloxymethyl)-6-methoxy-4-phenylmethoxyoxan-3-yl]oxy-5-benzoyloxy-3-hydroxy-4-phenylmethoxyoxane-2-carboxylate
- 영어명
- A-D-GLUCOPYRANOSIDE, METHYL 2-AZIDO-4-O-[2-O-BENZOYL-6-METHYL-3-O-(PHENYLMETHYL)-A-L-IDOPYRANURONOSYL]-2-DEOXY-3-O-(PHENYLMETHYL)-, 6-BENZOATE
- 분자식
- C42H43N3O13
- 분자량
- 797.81
이름 및 동의어
501089-97-0methyl (2R,3S,4S,5R,6R)-6-(((2R,3S,4R,5R,6S)-5-azido-2-((benzoyloxy)methyl)-4-(benzyloxy)-6-methoxytetrahydro-2H-pyran-3-yl)oxy)-5-(benzoyloxy)-4-(benzyloxy)-3-hydroxytetrahydro-2H-pyran-2-carboxylatemethyl (2R,3S,4S,5R,6R)-6-{[(2R,3S,4R,5R,6S)-5-azido-2-[(benzoyloxy)methyl]-4-(benzyloxy)-6-methoxyoxan-3-yl]oxy}-5-(benzoyloxy)-4-(benzyloxy)-3-hydroxyoxane-2-carboxylate(2S,3S,4S,5R,6R)-methylatemethyl O-(methyl 2-O-benzoyl-3-O-benzyl-α-L-idopyranosyluronate)-(1→4)-2-azido-6-O-benzoyl-3-benzyl-2-deoxy-α-DglucopyranosideA-D-GLUCOPYRANOSIDE, METHYL 2-AZIDO-4-O-[2-O-BENZOYL-6-METHYL-3-O-(PHENYLMETHYL)-A-L-IDOPYRANURONOSYL]-2-DEOXY-3-O-(PHENYLMETHYL)-, 6-BENZOATEα-D-Glucopyranoside, Methyl 2-azido-4-O-[2-O-benzoyl-6-Methyl-3-O-(phenylMethyl)-α-L-idopyranuronosyl]-2-deoxy-3-O-(phenylMethyl)-, 6-benzoate(2S,3S,4S,5R,6R)-METHYL 6-((2R,3S,4R,5R,6S)-5-AZIDO-2-(BENZOYLOXY)-4-(BENZYLOXY)-6-METHOXYTETRAHYDRO-2H-PYRAN-3-YLOXY)-5-(BENZYLOXY)-3-HYDROXYTETRAHYDRO-2H-PYRAN-2-CARBOXYLATE
물성
구조 계산 물성
- XLogP
- 6.5
- 극성 표면적
- 169 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 15
- 회전 가능 결합 수
- 19
- 무거운 원자 수
- 58
- 형식 전하
- 0
- 복잡도
- 1,340
화학 및 산업
공급사8 곳
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Shanghai Scibiotron Pharmaceutical Co., Ltd+86-16621589600 · [email protected]
武汉开诺医药科技有限公司18040571231/1402788087
上海艾康睿医药科技有限公司021-33730573 15821573036 · [email protected]
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南京克罗托鲁宁医药科技有限公司13382066392
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