二甲基(6R)-5-乙酰氨基-4-O-乙酰基-3,5-二脱氧-2-硫代-6-[(1S,2R)-1,2,3-三乙酰氧基丙基]-L-苏式-己-2-酮吡喃糖苷酸酯 | 144240-36-8

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

二甲基(6R)-5-乙酰氨基-4-O-乙酰基-3,5-二脱氧-2-硫代-6-[(1S,2R)-1,2,3-三乙酰氧基丙基]-L-苏式-己-2-酮吡喃糖苷酸酯

中文别名

——

英文名称

methyl (methyl 5-acetamido-4,7,8,9-tetra-O-acetyl-3,5-dideoxy-2-thio-D-glycero-D-galacto-2-nonulopyranosid)onate

英文别名

methyl (methyl 5-acetamido-4,7,8,9-tetra-O-acetyl-3,5-dideoxy-2-thio-D-glycero-D-galacto-2-nonulopyranosidonate)；methyl(methyl 5-acetamido-4,7,8,9-tetra-O-acetyl-3,5-dideoxy-2-thio-D-glycero-D-galacto-2-nonulopyranosid)onate；methyl (4S,5R,6R)-5-acetamido-4-acetyloxy-2-methylsulfanyl-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate

二甲基(6R)-5-乙酰氨基-4-O-乙酰基-3,5-二脱氧-2-硫代-6-[(1S,2R)-1,2,3-三乙酰氧基丙基]-L-苏式-己-2-酮吡喃糖苷酸酯化学式

CAS

144240-36-8

化学式

C₂₁H₃₁NO₁₂S

mdl

——

分子量

521.543

InChiKey

VUDPJAWMOISBAC-KUHALTKMSA-N

BEILSTEIN

——

EINECS

——

计算性质

辛醇/水分配系数(LogP)：

1
重原子数：

35
可旋转键数：

15
环数：

1.0
sp3杂化的碳原子比例：

0.71
拓扑面积：

195
氢给体数：

1
氢受体数：

13

安全信息

危险品标志：

T
安全说明：

S23,S26,S36/37/39,S45,S53
危险类别码：

R23/24/25,R45,R36/37/38,R46

SDS

SDS：aea0b146b6896d3cc735e56ad81e55fd

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
——	N-acetylneuraminic acid methyl ester	——	C₁₂H₂₁NO₉	323.3
——	N-acetyl neuraminic acid	131-48-6	C₁₁H₁₉NO₉	309.273

下游产品

中文名称	英文名称	CAS号	化学式	分子量
——	methyl 5-acetamido-4,7,8,9-tetra-O-acetyl-3,5-dideoxy-2-thio-D-glycero-α-D-galacto-non-2-ulopyranosidonic acid	153718-25-3	C₂₀H₂₉NO₁₂S	507.516
——	Methyl [methyl 4,7,8,9-tetra-O-acetyl-5-(N-acetylacetamido)-3,5-dideoxy-2-thio-D-glycero-α,β-D-galacto-non-2-ulopyranosid]onate	207910-42-7	C₂₃H₃₃NO₁₃S	563.58
——	methyl (4S,5R,6R)-4-acetyloxy-2-methylsulfanyl-5-[(2-phenylmethoxyacetyl)amino]-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate	195434-88-9	C₂₈H₃₇NO₁₃S	627.667
——	methyl (methyl 5-acetamido-3,5-dideoxy-2-thio-D-glycero-α-D-galacto-2-nonulopyranosid)onate	130333-20-9	C₁₃H₂₃NO₈S	353.394
——	methyl (methyl 4,7,8,9-tetra-O-acetyl-5-azido-3,5-dideoxy-2-thio-D-glycero-α-D-galacto-non-2-ulopyranosid)onate	374573-36-1	C₁₉H₂₇N₃O₁₁S	505.503
——	methyl (methyl 4,7,8,9-tetra-O-acetyl-5-azido-3,5-dideoxy-2-thio-D-glycero-β-D-galacto-non-2-ulopyranosid)onate	374573-66-7	C₁₉H₂₇N₃O₁₁S	505.503
——	(4S,5R,6R)-5-Amino-4-hydroxy-2-methylsulfanyl-6-((1R,2R)-1,2,3-trihydroxy-propyl)-tetrahydro-pyran-2-carboxylic acid methyl ester	195434-85-6	C₁₁H₂₁NO₇S	311.356
——	methyl (2S,4S,5R,6R)-4-acetyloxy-5-(diacetylamino)-2-[(2R,3S,4S,5R,6S)-3,5-diacetyloxy-2-(benzoyloxymethyl)-6-methylsulfanyloxan-4-yl]oxy-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate	207910-45-0	C₄₀H₅₁NO₂₁S	913.905
——	(2S,4S,5R,6R)-4-Acetoxy-5-acetylamino-6-((1S,2R)-1,2,3-triacetoxy-propyl)-2-((2R,3R,4S,5R,6R)-3,4,5-tris-benzoyloxy-6-docosyloxy-tetrahydro-pyran-2-ylmethoxy)-tetrahydro-pyran-2-carboxylic acid methyl ester	256639-65-3	C₆₉H₉₅NO₂₁	1274.51
——	(2R,4S,5R,6R)-4-Acetoxy-5-acetylamino-6-((1S,2R)-1,2,3-triacetoxy-propyl)-2-((2R,3R,4S,5R,6R)-3,4,5-tris-benzoyloxy-6-docosyloxy-tetrahydro-pyran-2-ylmethoxy)-tetrahydro-pyran-2-carboxylic acid methyl ester	256639-64-2	C₆₉H₉₅NO₂₁	1274.51
——	2-(trimethylsilyl)ethyl O-(methyl 5-acetamido-4,7,8,9-tetra-O-acetyl-3,5-dideoxy-D-glycero-α-D-galacto-2-nonulopyranosylonate)-(2->3)-6-O-benzoyl-β-D-galactopyranoside	121377-30-8	C₃₈H₅₅NO₁₉Si	857.936
——	2-(trimethylsilyl)ethyl O-(methyl 5-acetamido-4,7,8,9-tetra-O-acetyl-3,5-dideoxy-D-glycero-α-D-galacto-2-nonulopyranosylonate)-(2->6)-3-O-benzoyl-β-D-galactopyranoside	121377-28-4	C₃₈H₅₅NO₁₉Si	857.936
——	methyl (benzyl 5-acetamido-4,7,8,9-tetra-O-acetyl-3,5-dideoxy-α-D-glycero-D-galacto-2-nonulopyranosid)onate	19342-75-7	C₂₇H₃₅NO₁₃	581.574
——	methyl (benzyl 5-acetamido-4,7,8,9-tetra-O-acetyl-3,5-dideoxy-β-D-glycero-D-galacto-2-nonulopyranosid)onate	19342-74-6	C₂₇H₃₅NO₁₃	581.574
——	O-(methyl 5-acetamido-4,7,8,9-tetra-O-acetyl-3,5-dideoxy-D-glycero-α-D-galacto-2-nonulopyranosylonate)-(2<*>6)-2,3-di-O-acetyl-1,5-benzyloxycarbonylimino-1,5-dideoxy-D-glucitol	153373-58-1	C₃₈H₅₀N₂O₂₀	854.816
——	O-(methyl 5-acetamido-4,7,8,9-tetra-O-acetyl-3,5-dideoxy-D-glycero-α-D-galacto-2-nonulopyranosylonate)-(2<*>6)-2,3,4-tri-O-acetyl-1,5-benzyloxycarbonylimino-1,5-dideoxy-D-galactitol	153482-74-7	C₄₀H₅₂N₂O₂₁	896.854
——	2-(Trimethylsilyl)ethyl 6-O-benzoyl-3-O-[methyl 4,7,8,9-tetra-O-acetyl-5-(N-acetylacetamido)-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranosylonate]-β-D-galactopyranoside	207910-43-8	C₄₀H₅₇NO₂₀Si	899.973
——	2-(Trimethylsilyl)ethyl 2,3,6-tri-O-benzyl-4-O-<2,4,6-tri-O-benzyl-3-O-onate>-β-D-galactopyranosyl>-β-D-glucopyranoside	156727-01-4	C₇₉H₉₇NO₂₃Si	1456.72
——	2-(Trimethylsilyl)ethyl 2,3,6-tri-O-benzyl-4-O-<2,4,6-tri-O-benzyl-3-O-onate>-β-D-galactopyranosyl>-β-D-glucopyranoside	156727-02-5	C₇₉H₉₇NO₂₃Si	1456.72
——	2-(trimethylsilyl)ethyl (2,3,4,6-tetra-O-benzoyl-β-D-galactopyranosyl)-(1->3)-[(methyl 5-acetamido-4,7,8,9-tetra-O-acetyl-3,5-dideoxy-D-glycero-α-D-galacto-2-nonulopyranosynate)]-(2->6)-β-D-galactopyranoside	702676-48-0	C₆₅H₇₇NO₂₇Si	1332.4
——	methyl (2S,4S,5R,6R)-5-acetamido-4-acetyloxy-2-[(2S,3R,4S,5S,6R)-2-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-3,5-dihydroxy-6-(phenylmethoxymethyl)oxan-4-yl]oxy-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate	246865-86-1	C₄₁H₆₃NO₁₈Si	886.033
——	4-methoxyphenyl (methyl 5-acetamido-4,7,8,9-tetra-O-acetyl-3,5-dideoxy-d-glycero-α-D-galacto-2-nonoulopyranosylonate)-(2->3)-[(3,4,6-tri-O-benzyl-β-D-galactopyranosyl)-(1->6)]-(β-D-galactopyranosyl)-(1->4)-2,3,6-tri-O-benzyl-β-D-glucopyranoside