(6R,7S)-3-(acetoxymethyl)-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid | 95570-59-5

分子结构分类

有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物

中文名称

——

中文别名

——

英文名称

(6R,7S)-3-(acetoxymethyl)-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

英文别名

3-Acetoxymethyl-7alpha-methoxy-3-cephem-4-carboxylic acid；(6R,7S)-3-(acetyloxymethyl)-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

(6R,7S)-3-(acetoxymethyl)-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid化学式

CAS

95570-59-5

化学式

C₁₁H₁₃NO₆S

mdl

——

分子量

287.293

InChiKey

VBHGLWPMGRSASA-WCBMZHEXSA-N

BEILSTEIN

——

EINECS

——

物化性质

沸点：

535.9±50.0 °C(Predicted)
密度：

1.52±0.1 g/cm3(Predicted)

计算性质

辛醇/水分配系数(LogP)：

-1
重原子数：

19
可旋转键数：

5
环数：

2.0
sp3杂化的碳原子比例：

0.55
拓扑面积：

118
氢给体数：

1
氢受体数：

7

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
——	t-butyl 3-acetoxymethyl-7α-methoxy-3-cephem-4-carboxylate	95570-83-5	C₁₅H₂₁NO₆S	343.401
——	(6R,7S)-3-Acetoxymethyl-7-methoxy-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid 4-methoxy-benzyl ester	128472-56-0	C₁₉H₂₁NO₇S	407.444
7-氨基头孢烷酸	7-Aminocephalosporanic acid	957-68-6	C₁₀H₁₂N₂O₅S	272.282
7-苯乙酰氨基-3-氯甲基-4-头孢烷酸对甲氧基苄酯	(6R,7R)-3-Chloromethyl-8-oxo-7-phenylacetylamino-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid 4-methoxy-benzyl ester	104146-10-3	C₂₄H₂₃ClN₂O₅S	486.976

下游产品

中文名称	英文名称	CAS号	化学式	分子量
——	methyl 3-(acetoxymethyl)-7α-methoxy-8-oxo-5-thia-1-azabicyclo<4.2.0>oct-2-ene-2-carboxylate	128472-51-5	C₁₂H₁₅NO₆S	301.32
——	ethyl (6R,7S)-3-(acetyloxymethyl)-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate	128472-52-6	C₁₃H₁₇NO₆S	315.347
——	propan-2-yl (6R,7S)-3-(acetyloxymethyl)-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate	128472-50-4	C₁₄H₁₉NO₆S	329.374
——	(4-methoxy-4-oxobutyl) (6R,7S)-3-(acetyloxymethyl)-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate	128472-54-8	C₁₆H₂₁NO₈S	387.411
——	(3-methoxy-3-oxopropyl) (6R,7S)-3-(acetyloxymethyl)-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate	128472-53-7	C₁₅H₁₉NO₈S	373.384
——	(ethoxycarbonyl)methyl 3-(acetoxymethyl)-7α-methoxy-8-oxo-5-thia-1-azabicyclo<4.2.0>oct-2-ene-2-carboxylate	95570-60-8	C₁₅H₁₉NO₈S	373.384
——	5a,6-dihydro-6α-methoxy-3H,7H-azeto<2,1-b>furo<3,4-d><1,3>thiazine-1,7(4H)-dione	127792-60-3	C₉H₉NO₄S	227.241
——	benzyl 3-(acetoxymethyl)-7α-methoxy-8-oxo-5-thia-1-azabicyclo<4.2.0>oct-2-ene-2-carboxylate	95570-67-5	C₁₈H₁₉NO₆S	377.418
——	(4-methoxycarbonylphenyl)methyl (6R,7S)-3-(acetyloxymethyl)-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate	128495-27-2	C₂₀H₂₁NO₈S	435.455
——	(6R,7S)-3-Acetoxymethyl-7-methoxy-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid 4-methoxy-benzyl ester	128472-56-0	C₁₉H₂₁NO₇S	407.444
——	(4-tert-butylphenyl)methyl (6R,7S)-3-(acetyloxymethyl)-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate	128472-58-2	C₂₂H₂₇NO₆S	433.525
——	[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]methyl (6R,7S)-3-(acetyloxymethyl)-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate	128472-61-7	C₂₃H₂₇NO₈S	477.535
——	(3-methoxycarbonylphenyl)methyl (6R,7S)-3-(acetyloxymethyl)-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate	95570-53-9	C₂₀H₂₁NO₈S	435.455
——	[(6R,7S)-2-(tert-butylcarbamoyl)-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl acetate	128472-75-3	C₁₅H₂₂N₂O₅S	342.416
——	N,N-dimethyl-3-(acetoxymethyl)-7α-methoxy-8-oxo-5-thia-1-azabicyclo<4.2.0>oct-2-ene-2-carboxamide	128472-77-5	C₁₃H₁₈N₂O₅S	314.362
——	N-<2-(tert-butoxycarbonyl)ethyl>-3-(acetoxymethyl)-7α-methoxy-8-oxo-5-thia-1-azabicyclo<4.2.0>oct-2-ene-2-carboxamide	128495-28-3	C₁₈H₂₆N₂O₇S	414.48
——	methyl 3-(acetoxymethyl)-7α-methoxy-8-oxo-5-thia-1-azabicyclo<4.2.0>oct-2-ene-2-carboxylate 5,5-dioxide	104263-96-9	C₁₂H₁₅NO₈S	333.319
——	[(6R,7S)-7-methoxy-2-(morpholine-4-carbonyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl acetate	116536-15-3	C₁₅H₂₀N₂O₆S	356.4
——	tert-butyl 2-[[(6R,7S)-3-(acetyloxymethyl)-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carbonyl]-methylamino]acetate	128472-79-7	C₁₈H₂₆N₂O₇S	414.48
——	tert-butyl 4-[[(6R,7S)-3-(acetyloxymethyl)-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carbonyl]amino]butanoate	128472-73-1	C₁₉H₂₈N₂O₇S	428.507
——	3-Acetoxymethyl-7-methoxy-5,5,8-trioxo-5lambda6-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid ethyl ester	104182-16-3	C₁₃H₁₇NO₈S	347.346
——	[(6R,7S)-7-methoxy-8-oxo-2-(pyrrolidine-1-carbonyl)-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl acetate	128472-81-1	C₁₅H₂₀N₂O₅S	340.4
——	3-Acetoxymethyl-7-methoxy-5,5,8-trioxo-5lambda6-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid isopropyl ester	104163-98-6	C₁₄H₁₉NO₈S	361.373
——	3-Acetoxymethyl-7-methoxy-5,5,8-trioxo-5lambda6-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid 3-methoxycarbonyl-propyl ester	116660-92-5	C₁₆H₂₁NO₁₀S	419.409
——	[(6R,7S)-2-(benzylcarbamoyl)-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl acetate	128472-69-5	C₁₈H₂₀N₂O₅S	376.433
——	3-Acetoxymethyl-7-methoxy-5,5,8-trioxo-5lambda6-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid 2-methoxycarbonyl-ethyl ester	128472-63-9	C₁₅H₁₉NO₁₀S	405.383
——	(ethoxycarbonyl)methyl 3-(acetoxymethyl)-7α-methoxy-8-oxo-5-thia-1-azabicyclo<4.2.0>oct-2-ene-2-carboxylate 5,5-dioxide	95570-61-9	C₁₅H₁₉NO₁₀S	405.383
——	3-Acetoxymethyl-7-methoxy-5,5,8-trioxo-5lambda6-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzyl ester	95671-92-4	C₁₈H₁₉NO₈S	409.417
——	5a,6-dihydro-6α-methoxy-3H,7H-azeto<2,1-b>furo<3,4-d><1,3>thiazine-1,7(4H)-dione 5,5-dioxide	127792-61-4	C₉H₉NO₆S	259.24
——	[(6R,7S)-2-[benzyl(methyl)carbamoyl]-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl acetate	95570-65-3	C₁₉H₂₂N₂O₅S	390.46
——	3-Acetoxymethyl-7-methoxy-5,5,8-trioxo-5lambda6-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid 4-methoxy-benzyl ester	128472-64-0	C₁₉H₂₁NO₉S	439.443
——	4-carboxybenzyl 3-(acetoxymethyl)-7α-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene carboxylate 5,5-dioxide	95570-58-4	C₁₉H₁₉NO₁₀S	453.427
——	4-(methoxycarbonyl)benzyl 3-(acetoxymethyl)-7α-methoxy-8-oxo-5-thia-1-azabicyclo<4.2.0>oct-2-ene-2-carboxylate 5,5-dioxide	116660-89-0	C₂₀H₂₁NO₁₀S	467.453
——	N-methyl-N-<(tert-butoxycarbonyl)methyl>-3-(hydoxymethyl)-7α-methoxy-8-oxo-5-thia-1-azabicyclo<4.2.0>oct-2-ene-2-carboxamide	143731-85-5	C₁₆H₂₄N₂O₆S	372.442
——	3-Acetoxymethyl-7-methoxy-5,5,8-trioxo-5lambda6-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid 4-tert-butyl-benzyl ester	128472-65-1	C₂₂H₂₇NO₈S	465.524
——	4-(tert-butoxycarbonyl)benzyl 3-(acetoxymethyl)-7α-methoxy-8-oxo-5-thia-1-azabicyclo<4.2.0>oct-2-ene-2-carboxylate 5,5-dioxide	128472-66-2	C₂₃H₂₇NO₁₀S	509.534
——	3-Acetoxymethyl-7-methoxy-5,5,8-trioxo-5lambda6-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid 3-carboxy-benzyl ester	128472-67-3	C₁₉H₁₉NO₁₀S	453.427
——	(S)-1-((6R,7S)-3-Acetoxymethyl-7-methoxy-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carbonyl)-pyrrolidine-2-carboxylic acid tert-butyl ester	143707-64-6	C₂₀H₂₈N₂O₇S	440.518
——	3-(acetoxymethyl)-7α-methoxy-2-(morpholinocarbonyl)-8-oxo-5-thia-1-azabicyclo<4.2.0>oct-2-ene 5α-oxide	143707-80-6	C₁₅H₂₀N₂O₇S	372.399
——	[((6R,7S)-3-Acetoxymethyl-7-methoxy-5,5,8-trioxo-5λ⁶-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carbonyl)-amino]-acetic acid	104164-00-3	C₁₃H₁₆N₂O₉S	376.344