Erythromycin, anhydro-, N-oxide

HCID 88121CAS 63950-90-3

部分構造検索類似構造を探す

基本情報

標準SMILES: CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]([N+](C)(C)[O-])[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O
InChIKey: LUIPOVCSQJTWHA-RWJQBGPGSA-N
分子式: C37H67NO14
平均分子量: 749.9 g/mol
単同位体質量: 749.45615582

概要

Erythromycin, anhydro-, N-oxide has been reported in Saccharopolyspora erythraea with data available.

名称と識別子

優先名称: Erythromycin, anhydro-, N-oxide
IUPAC: (2S,3R,4S,6R)-2-[[(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-6-yl]oxy]-3-hydroxy-N,N,6-trimethyloxan-4-amine oxide
英語名: USAF EL-99
分子式: C37H65NO13
分子量: 731.914

名称と別名

Erythromycin, anhydro-, N-oxide63950-90-3DTXSID50213784(2S,3R,4S,6R)-2-[[(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-6-yl]oxy]-3-hydroxy-N,N,6-trimethyloxan-4-amine oxide(2S,3R,4S,6R)-2-(((3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-14-ethyl-7,12,13-trihydroxy-4-((2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-6-yl)oxy)-3-hydroxy-N,N,6-trimethyloxan-4-amine oxideRefChem:1084258DTXCID80136275Erythromycin A N-oxide992-65-4T9KL5GX5WQAnhydroerythromycin-N-oxideErythromycin EP Impurity H

名称をさらに表示

Erythromycin, N-oxideErythromycin A N-oxide (>80%)(2S,3R,4S,6R)-2-(((3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-14-ethyl-7,12,13-trihydroxy-4-(((2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-3,5,7,9,11,13-hexamethyl-2,10-dioxooxacyclotetradecan-6-yl)oxy)-3-hydroxy-N,N,6-trimethyltetrahydro-2H-pyran-4-amine oxideUSAF EL-99UNII-T9KL5GX5WQorb1692890SCHEMBL14342543LUIPOVCSQJTWHA-RWJQBGPGSA-N

データベース識別子

CAS: 63950-90-3、992-65-4
PubChem CID: 88121
DTXSID: DTXSID50213784
UNII: T9KL5GX5WQ

物性

構造計算による物性

XLogP: 2.7
極性表面積: 209 Å²
水素結合供与体数: 5
水素結合受容体数: 14
回転可能結合数: 7
重原子数: 52
形式電荷: 0
複雑度: 1,220

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