6-O-methyl-9a-aza-9a-homoerythromycin A | 210912-02-0

分子结构分类

有机化合物 - 有机氧化合物

中文名称

——

中文别名

——

英文名称

6-O-methyl-9a-aza-9a-homoerythromycin A

英文别名

clarithromycin 9a-lactam；(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4-dihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-10-methoxy-3,5,8,10,12,14-hexamethyl-1-oxa-6-azacyclopentadecane-7,15-dione

6-O-methyl-9a-aza-9a-homoerythromycin A化学式

CAS

210912-02-0

化学式

C₃₈H₇₀N₂O₁₃

mdl

——

分子量

762.979

InChiKey

DKJDMFKBFWCHQJ-VIARIJRMSA-N

BEILSTEIN

——

EINECS

——

物化性质

沸点：

847.6±65.0 °C(Predicted)
密度：

1.19±0.1 g/cm3(Predicted)

计算性质

辛醇/水分配系数(LogP)：

2.6
重原子数：

53
可旋转键数：

8
环数：

3.0
sp3杂化的碳原子比例：

0.95
拓扑面积：

195
氢给体数：

5
氢受体数：

14

上下游信息

上游原料

中文名称	英文名称	CAS号	化学式	分子量
——	clarithromycin 9(E)-oxime	127253-06-9	C₃₈H₇₀N₂O₁₃	762.979

下游产品

中文名称	英文名称	CAS号	化学式	分子量
——	3'-N-demethyl-6-O-methyl-9a-aza-9a-homoerythromycin A	906452-70-8	C₃₇H₆₈N₂O₁₃	748.953
——	3'-N-methyl-3'-N-(2-cyanoethyl)-6-O-methyl-9a-aza-9a-homoerythromycin A	906452-71-9	C₄₀H₇₁N₃O₁₃	802.016
——	3'-N,N-didemethyl-6-O-methyl-9a-aza-9a-homoerythromycin A	1376295-82-7	C₃₆H₆₆N₂O₁₃	734.926
——	3'-N-methyl-3'-N-(3-aminopropyl)-4"-O-(3-diethylaminopropionyl)-6-O-methyl-9a-aza-9a-homoerythromycin A	906453-17-6	C₄₇H₈₈N₄O₁₄	933.234
——	3'-N-demethyl-4"-O-(2-diethylaminoethanoyl)-6-O-methyl-9a-aza-9a-homoerythromycin A	1236808-83-5	C₄₃H₇₉N₃O₁₄	862.112
——	3'-N,N-didemethyl-2'-O,3'-N-carbonyl-6-O-methyl-9a-aza-9a-homoerythromycin A	1376295-85-0	C₃₇H₆₄N₂O₁₄	760.92
——	3'-N-demethyl-2'-O,3'-N-carbonyl-6-O-methyl-9a-aza-9a-homoerythromycin A	1376295-90-7	C₃₈H₆₆N₂O₁₄	774.947
——	benzyl [(2S,3R,4S,6R)-4-[2-cyanoethyl(methyl)amino]-2-[[(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4-dihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-10-methoxy-3,5,8,10,12,14-hexamethyl-7,15-dioxo-1-oxa-6-azacyclopentadec-11-yl]oxy]-6-methyloxan-3-yl] carbonate	906453-14-3	C₄₈H₇₇N₃O₁₅	936.15
——	3'-N-(benzylthiocarbamoyl)-3'-N-demethyl-6-O-methyl-9a-aza-9a-homoerythromycin A	1192304-57-6	C₄₅H₇₅N₃O₁₃S	898.169
——	3'-N,N-didemethyl-2'-O,3'-N-carbonyl-3'-N-ethyl-6-O-methyl-9a-aza-9a-homoerythromycin A	1376295-95-2	C₃₉H₆₈N₂O₁₄	788.974
——	3'-N,N-didemethyl-2'-O,3'-N-carbonyl-3'-N-propyl-6-O-methyl-9a-aza-9a-homoerythromycin A	1376295-97-4	C₄₀H₇₀N₂O₁₄	803.001
——	[(2S,3S,4R,6R)-6-[[(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-[2-cyanoethyl(methyl)amino]-6-methyl-3-phenylmethoxycarbonyloxyoxan-2-yl]oxy-2-ethyl-3,4-dihydroxy-10-methoxy-3,5,8,10,12,14-hexamethyl-7,15-dioxo-1-oxa-6-azacyclopentadec-13-yl]oxy]-4-methoxy-2,4-dimethyloxan-3-yl] 3-(diethylamino)propanoate	906453-16-5	C₅₅H₉₀N₄O₁₆	1063.34
——	[(2S,3S,4R,6R)-6-[[(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-[2-cyanoethyl(methyl)amino]-6-methyl-3-phenylmethoxycarbonyloxyoxan-2-yl]oxy-2-ethyl-3,4-dihydroxy-10-methoxy-3,5,8,10,12,14-hexamethyl-7,15-dioxo-1-oxa-6-azacyclopentadec-13-yl]oxy]-4-methoxy-2,4-dimethyloxan-3-yl] prop-2-enoate	906453-15-4	C₅₁H₇₉N₃O₁₆	990.199
——	2'-O,3'-N-(carbonimidoyl)-3'-N-demethyl-N-methyl-6-O-methyl-9a-aza-9a-homoerythromycin A	1192304-29-2	C₃₉H₆₉N₃O₁₃	787.989
——	2'-O,3'-N-(carbonimidoyl)-3'-N-demethyl-N'-ethyl-6-O-methyl-9a-aza-9a-homoerythromycin A	1192304-25-8	C₄₀H₇₁N₃O₁₃	802.016
——	2'-O,3'-N-(carbonimidoyl)-3'-N-demethyl-N'-isopropyl-6-O-methyl-9a-aza-9a-homoerythromycin A	1192304-17-8	C₄₁H₇₃N₃O₁₃	816.043