methyl (2S,3S,4S,5R,6R)-6-[(2R,3S,4R,5R,6R)-4-acetyloxy-2-(acetyloxymethyl)-6-[(2R,3S,4S,5R,6R)-6-[(2R,3S,4R,5R,6S)-2-(acetyloxymethyl)-6-methoxy-4-phenylmethoxy-5-(phenylmethoxycarbonylamino)oxan-3-yl]oxy-5-benzoyloxy-2-methoxycarbonyl-4-phenylmethoxyoxan-3-yl]oxy-5-azidooxan-3-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
Grundinformationen
- CAS
1572360-01-0- Standard-SMILES
COC(=O)[C@H]1O[C@@H](O[C@H]2[C@H](OC(C)=O)[C@@H](N=[N+]=[N-])[C@@H](O[C@H]3[C@H](OCc4ccccc4)[C@@H](OC(=O)c4ccccc4)[C@H](O[C@H]4[C@H](OCc5ccccc5)[C@@H](NC(=O)OCc5ccccc5)[C@@H](OC)O[C@@H]4COC(C)=O)O[C@H]3C(=O)OC)O[C@@H]2COC(C)=O)[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
MYWNSVDGHRZTTE-IHSZRQAKSA-N- Summenformel
- C98H107N7O32
- Durchschnittliche Molmasse
- 1.894,9 g/mol
- Monoisotopische Masse
- 1.893,6960643
Namen und Bezeichner
- Bevorzugter Name
- methyl (2S,3S,4S,5R,6R)-6-[(2R,3S,4R,5R,6R)-4-acetyloxy-2-(acetyloxymethyl)-6-[(2R,3S,4S,5R,6R)-6-[(2R,3S,4R,5R,6S)-2-(acetyloxymethyl)-6-methoxy-4-phenylmethoxy-5-(phenylmethoxycarbonylamino)oxan-3-yl]oxy-5-benzoyloxy-2-methoxycarbonyl-4-phenylmethoxyoxan-3-yl]oxy-5-azidooxan-3-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
- IUPAC
- methyl (2S,3S,4S,5R,6R)-6-[(2R,3S,4R,5R,6R)-4-acetyloxy-2-(acetyloxymethyl)-6-[(2R,3S,4S,5R,6R)-6-[(2R,3S,4R,5R,6S)-2-(acetyloxymethyl)-6-methoxy-4-phenylmethoxy-5-(phenylmethoxycarbonylamino)oxan-3-yl]oxy-5-benzoyloxy-2-methoxycarbonyl-4-phenylmethoxyoxan-3-yl]oxy-5-azidooxan-3-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
- Englischer Name
- 4)-2-deoxy-2-[[(phenylmethoxy)carbonyl]amino]-3-O-(phenylmethyl)-alpha-D-glucopyranoside 6-acetate
- Summenformel
- C98H107N7O32
- Molmasse
- 1894.95
Namen und Synonyme
1572360-01-04)-2-deoxy-2-[[(phenylmethoxy)carbonyl]amino]-3-O-(phenylmethyl)-alpha-D-glucopyranoside 6-acetateα-D-Glucopyranoside, methyl 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)-O-3,6-di-O-acetyl-2-azido-2-deoxy-α-D-glucopyranosyl-(1→4)-O-2-O-benzoyl-6-methyl-3-O-(phenylmethyl)-α-L-idopyranuronosyl-(1→4)-2-deoxy-2-[[(phenylmethoxy)carbonyl]amino]-3-O-(phenylmethyl)-, 6-acetateMethyl O-6-O-acetyl-2-azido-2-deoxy-3,4-bis-O-(phenylmethyl)-alpha-D-glucopyranosyl-(1-4)-O-6-methyl-2,3-bis-O-(phenylmethyl)-beta-D-glucopyranuronosyl-(1-4)-O-3,6-di-O-acetyl-2-azido-2-deoxy-alpha-D-glucopyranosyl-(1-4)-O-2-O-benzoyl-6-methyl-3-O-(phenylmethyl)-alpha-L-idopyranuronosyl-(1-4)-2-deoxy-2-[[(phenylmethoxy)carbonyl]amino]-3-O-(phenylmethyl)-alpha-D-glucopyranoside 6-acetate
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 11,7
- Polarare Oberfläche (TPSA)
- 399 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 36
- Frei drehbare Bindungen
- 51
- Schwere Atome
- 137
- Formalladung
- 0
- Komplexität
- 3.800
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