5-乙酰氨基-7,8,9-O-三乙酰基-2,6-脱水-4-叠氮-3,4,5-三脱氧-D-甘油-D-半乳-2-壬烯酸甲酯 | 130525-58-5

物质功能分类

医药中间体 - 原料药中间体

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

5-乙酰氨基-7,8,9-O-三乙酰基-2,6-脱水-4-叠氮-3,4,5-三脱氧-D-甘油-D-半乳-2-壬烯酸甲酯

中文别名

(4S,5R,6R)-5-乙酰氨基-4-叠氮基-6-(1S,2R,3-三乙酰氧基丙基)-5,6-二氢-4H-吡喃-2-甲酸

英文名称

methyl 5-acetamido-4-azido-6-(1,2,3-triacetoxypropyl)-5,6-dihydro-4H-pyran-2-carboxylate

英文别名

(1S,2R)-1-((2R,3R,4S)-3-acetamido-4-azido-6-(methoxycarbonyl)-3,4-dihydro-2H-pyran-2-yl)propane-1,2,3-triyl triacetate；methyl 5-acetamido-4-azido-7,8,9-tri-O-acetyl-2,6-anhydro-3,4,5-trideoxy-D-glycero-D-galacto-non-2-enonate；5-acetamido-7,8,9-tri-O-acetyl-2,6-anhydro-4-azido-3,4,5-trideoxy-D-glycero-D-galacto-non-2-enonic acid methyl ester；4-azido-Neu5Ac2en；Zanamivir Azide Triacetate Methyl Ester；methyl (2R,3R,4S)-3-acetamido-4-azido-2-[(1S,2R)-1,2,3-triacetyloxypropyl]-3,4-dihydro-2H-pyran-6-carboxylate

5-乙酰氨基-7,8,9-O-三乙酰基-2,6-脱水-4-叠氮-3,4,5-三脱氧-D-甘油-D-半乳-2-壬烯酸甲酯化学式

CAS

130525-58-5

化学式

C₁₈H₂₄N₄O₁₀

mdl

——

分子量

456.409

InChiKey

ANKWFOHGBMGGAL-IIHMKKKESA-N

BEILSTEIN

——

EINECS

——

物化性质

熔点：

56-61°C
溶解度：

可溶于氯仿、甲醇

计算性质

辛醇/水分配系数(LogP)：

0.8
重原子数：

32
可旋转键数：

13
环数：

1.0
sp3杂化的碳原子比例：

0.61
拓扑面积：

158
氢给体数：

1
氢受体数：

12

SDS

SDS：5a6c6f3516bc9e25d08d3f1508f4640a

查看

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
——	methyl 5-acetamido-7,8,9-tri-O-acetyl-2,6-anhydro-3,5-dideoxy-D-glycero-D-talo-non-2-enoate	80973-54-2	C₁₈H₂₅NO₁₁	431.397
——	methyl-2,3-didehydro-4,7,8,9-tetra-O-acetyl-N-acetylneuraminate	73960-72-2	C₂₀H₂₇NO₁₂	473.434
——	methyl (methyl 5-acetamido-7,8,9-tri-O-acetyl-4-azido-3,4,5-trideoxy-2-thio-D-glycero-α-D-galacto-nonulopyranosid)onate	163860-78-4	C₁₉H₂₈N₄O₁₀S	504.518
——	methyl (5-acetamido-7,8,9-tri-O-acetyl-4-azido-2-chloro-3,4,5-trideoxy-β-D-glycerol-D-galacto-2-nonulopyranosid)onate	163860-77-3	C₁₈H₂₅ClN₄O₁₀	492.87
——	(1S,2R)-1-((2R,3R,4S,6R)-3-acetamido-6-acetoxy-4-azido-6-(methoxycarbonyl)tetrahydro-2H-pyran-2-yl)propane-1,2,3-triyl triacetate	725725-10-0	C₂₀H₂₈N₄O₁₂	516.462
——	N-[(1R,2S)-2-azido-1-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-enyl]acetamide	639476-18-9	C₁₇H₂₈N₄O₅	368.433
——	N-((1R,2S)-2-azido-4,5-dihydroxy-1-((4S,4'R,5R)-2,2,2',2'-tetramethyl-[4,4'-bi(1,3-dioxolan)]-5-yl)pentyl)acetamide	725725-05-3	C₁₇H₃₀N₄O₇	402.448
——	methyl (4S,5R)-5-acetamido-4-azido-5-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxypentanoate	725725-06-4	C₁₈H₃₀N₄O₈	430.458
——	methyl (4S,5R)-5-acetamido-4-azido-5-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxopentanoate	725725-07-5	C₁₈H₂₈N₄O₈	428.442
甲基(3aR,4R,7aR)-2-甲基-4-[(1S,2R)-1,2,3-三乙酰氧基丙基]-3a,7a-二氢-4H-吡喃并[3,4-d][1,3]恶唑-6-羧酸酯	methyl (3aS,4R,7aR)-4-[(1S,2R)-1,2,3-triacetoxy-propyl]-2-methyl-3a,7a-dihydro-4H-pyrano[3,4-d][1,3]oxazole-6-carboxylate	78850-37-0	C₁₈H₂₃NO₁₀	413.381
——	methyl (3aR,4R,7aS)-2-methyl-4-[(1S,2R)-1,2,3-triacetyloxypropyl]-4,7a-dihydro-3aH-pyrano[3,4-d][1,3]oxazole-6-carboxylate	366018-39-5	C₁₈H₂₃NO₁₀	413.381
——	methyl (2S,4S,5R,6R)-5-acetamido-4-azido-2-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate	725725-09-7	C₁₂H₂₀N₄O₈	348.313
——	(1S,2R)-1-((2R,3R)-3-acetamido-6-(benzoyloxy)-6-(methoxycarbonyl)-3,6-dihydro-2H-pyran-2-yl)propane-1,2,3-triyl triacetate	1372800-46-8	C₂₅H₂₉NO₁₂	535.505
(1S,2R)-1-((2R,3R,4S)-3-乙酰氨基-4-乙酰氧基-6-氯-6-(甲氧基羰基	methyl 5-acetamido-4,7,8,9-tetra-O-acetyl-2-chloro-2,3,5-trideoxy-D-glycero-D-galacto-2-nonulopyranosonate	132883-18-2	C₂₀H₂₈ClNO₁₂	509.895
——	methyl 5-acetamido-2,7,8,9-tetra-O-acetyl-3,4,5-trideoxy-D-manno-2-nonulopyranosonate	110481-26-0	C₂₀H₂₉NO₁₂	475.45
——	(4R,5R)-tert-butyl 4-allyl-2,2-dimethyl-5-((1S,2R)-1,2,3-tris(benzyloxy)propyl)oxazolidine-3-carboxylate	1372800-39-9	C₃₇H₄₇NO₆	601.783
——	(5R,6R,7R,8R,E)-methyl 5-acetamido-7,8,9-tris(benzyloxy)-2,6-bis((tert-butyldimethylsilyl)oxy)non-2-enoate	——	C₄₅H₆₇NO₈Si₂	806.2
——	(4R,5S,6R,7R,8R)-N⁴-benzyl-N⁴-acetyl-5-benzyloxy-6,7:8,9-di-O-isopropylidene-1-nonene	639476-05-4	C₃₁H₄₁NO₆	523.67
——	1-[(2R,3R)-2-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-prop-2-enylaziridin-1-yl]ethanone	639476-15-6	C₁₇H₂₇NO₅	325.405
——	(4R,5R)-tert-butyl 4-allyl-5-((2S,3S)-3-(hydroxymethyl)oxiran-2-yl)-2,2-dimethyloxazolidine-3-carboxylate	——	C₁₆H₂₇NO₅	313.394
N-乙酰神经氨酸甲酯	N-acetylneuraminic acid methyl ester	22900-11-4	C₁₂H₂₁NO₉	323.3
——	N-acetylneuraminic acid methyl ester	——	C₁₂H₂₁NO₉	323.3

下游产品

中文名称	英文名称	CAS号	化学式	分子量
——	(4S,5R,6R)-4-Azido-5-propionylamino-6-((1S,2R)-1,2,3-triacetoxy-propyl)-5,6-dihydro-4H-pyran-2-carboxylic acid methyl ester	176507-82-7	C₁₉H₂₆N₄O₁₀	470.436
——	(4S,5R,6R)-4-azido-5-(4-chloro-butyrylamino)-6-(1S,2R,3-triacetoxy-propyl)-5,6-dihydro-4-H-pyran-2-carboxylic acid methyl ester	176507-84-9	C₂₀H₂₇ClN₄O₁₀	518.908
——	methyl 7,8,9-tri-O-acetyl-2,6-anhydro-4-azido-5-cyclopropanamido-3,4,5-trideoxy-D-glycero-D-galacto-non-2-enonate	1053697-41-8	C₂₀H₂₆N₄O₁₀	482.447
——	methyl 5-acetamido-2,6-anhydro-4-azido-3,4,5-trideoxy-D-glycero-D-galacto-non-2-enonic acid	152178-79-5	C₁₂H₁₈N₄O₇	330.298
——	Zanamivir Azide Methyl Ester	185382-38-1	C₁₂H₁₈N₄O₇	330.298
——	(4S,5R,6R)-4-azido-5-propionylamino-6-(1R,2R,3-trihydroxypropyl)-5,6-dihydro-4H-pyran-2-carboxlic acid methyl ester	176507-83-8	C₁₃H₂₀N₄O₇	344.324