methyl (methyl 5-acetamido-4,7,8,9-tetra-O-acetyl-3,5-dideoxy-D-glycero-β-D-galacto-non-2-ulopyranosid)onate | 41521-03-3
中文名称
——
中文别名
——
英文名称
methyl (methyl 5-acetamido-4,7,8,9-tetra-O-acetyl-3,5-dideoxy-D-glycero-β-D-galacto-non-2-ulopyranosid)onate
英文别名
methyl (2S,4S,5R,6R)-5-acetamido-4-acetyloxy-2-methoxy-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate
CAS
41521-03-3
化学式
C21H31NO13
mdl
——
分子量
505.476
InChiKey
BDVAGIAWBFWKLD-JSNLTNBWSA-N
BEILSTEIN
——
EINECS
——
-
物化性质
-
计算性质
-
ADMET
-
安全信息
-
SDS
-
制备方法与用途
-
上下游信息
-
文献信息
-
表征谱图
-
同类化合物
-
相关功能分类
-
相关结构分类
物化性质
-
沸点：593.7±50.0 °C(Predicted)
-
密度：1.29±0.1 g/cm3(Predicted)
计算性质
-
辛醇/水分配系数(LogP)：0.2
-
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：179
-
氢给体数：1
-
氢受体数：13
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 —— 2-O-Methyl-4,7,8,9-tetra-O-acetyl-N-acetyl-alpha-D-neuraminic acid 50669-91-5 C20H29NO13 491.449 —— N-acetyl-2,4,7,8,9-penta-O-acetyl-D-neuraminic acid 4887-11-0 C21H29NO14 519.46 5-乙酰氨基-3,5-二脱氧-6-(1,2,3-三羟基丙基)己-2-酮吡喃糖苷酸二甲基酯 N-Acetyl-β-D-neuraminylsaeure-methyl-methylglycosid 6730-43-4 C13H23NO9 337.327 —— methyl (methyl 5-acetamido-4,7,8,9-tetra-O-acetyl-3-bromo-3,5-dideoxy-β-D-erythro-L-manno-2-nonulopyranosid)onate 111555-74-9 C21H30BrNO13 584.372 —— methyl 5-acetamido-3,4,7,8,9-penta-O-acetyl-2,6-anhydro-5-deoxy-D-arabino-L-gulo-nononate 114103-01-4 C22H31NO14 533.486 —— Methyl-9-O-acetyl-5-acetylamino-7,8-anhydro-4-O-(tert.-butyldimethylsilyl)-3,5-didesoxy-β-D-glycero-L-altro-2-nonulopiranosidonsaeuremethylester 88481-49-6 C21H37NO9Si 475.612 —— Methyl-9-O-acetyl-5-acetylamino-7,8-anhydro-4-O-(tert.-butyldimethylsilyl)-3,5-didesoxy-β-D-glycero-L-altro-2-nonulopiranosidonsaeuremethylester 88481-49-6 C21H37NO9Si 475.612 —— methyl (2S,4S,5R,6R)-4-acetyloxy-5-azido-2-methoxy-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate 401612-71-3 C19H27N3O12 489.436 —— 4,7,8,9-Tetra-O-acetyl-N-acetyl-2-chlor-2-desoxy-D-neuraminsaeure 72174-14-2 C19H26ClNO12 495.868 —— N-acetyl-4,7,8,9-tetra-O-acetyl-2-chloro-2-deoxyneuraminic acid methyl ester 67670-69-3 C20H28ClNO12 509.895 —— methyl-2,3-didehydro-4,7,8,9-tetra-O-acetyl-N-acetylneuraminate 73960-72-2 C20H27NO12 473.434 —— [(2R,3S)-2,3-diacetyloxy-3-[(2R,3R,4S,6S)-4-acetyloxy-3-azido-6-(3,4-dimethoxyphenyl)-6-methoxyoxan-2-yl]propyl] acetate 401612-70-2 C25H33N3O12 567.55 - 1
- 2
-
下游产品
中文名称 英文名称 CAS号 化学式 分子量 —— 2-O-methyl-4,7,8,9-tetra-O-acetyl-5-N-(2,2,3,3,4,4,4-heptafluorobutanoyl)-β-neuraminic acid methyl ester 1224231-81-5 C23H28F7NO13 659.463 —— methyl (methyl 4,7,8,9-tetra-O-acetyl-3,5-dideoxy-5-(anti/syn-N-nitrosoacetamido)-D-glycero-β-D-galacto-non-2-ulopyranosid)onate 129385-09-7 C21H30N2O14 534.474 —— N-acetyl neuraminic acid 131-48-6 C11H19NO9 309.273 —— methyl (methyl 4,5,7,8,9-penta-O-acetyl-3-deoxy-D-glycero-β-D-galacto-2-nonulopyranosid)onate 78082-65-2 C21H30O14 506.461 —— Methyl 5-acetamido-4,7,8,9-tetra-O-acetyl-2,6-anhydro-3,5-dideoxy-D-glycero-D-talo-non-2-enonate 78918-92-0 C20H27NO12 473.434 —— methyl 4,7,8,9-tetra-O-acetyl-2,6-anhydro-3,5-dideoxy-5-(2,2,2-trifluoroacetamido)-D-glycero-D-talonon-2-enonate 1380213-31-9 C20H24F3NO12 527.405 —— (2S,4S,5S)-4-Acetoxy-2-methoxy-5-((1S,2R,3R)-1,2,3,4-tetraacetoxy-butyl)-tetrahydro-furan-2-carboxylic acid methyl ester 120123-40-2 C21H30O14 506.461 —— methyl 4,7,8,9-tetra-O-acetyl-2,6-anhydro-5-(2,2,3,3,3-pentafluoropropionamido)-3,5-dideoxy-D-glycero-D-talonon-2-enonate 1426563-30-5 C21H24F5NO12 577.413 —— methyl 4,7,8,9-tetra-O-acetyl-2,6-anhydro-3,5-dideoxy-5-(2,2,3,3,4,4,4-heptafluorobutanamido)-D-glycero-D-talonon-2-enonate 1426563-32-7 C22H24F7NO12 627.421 —— methyl (methyl-3-deoxy-D-glycero-β-D-galacto-2-nonulopyranosid)onate 78082-67-4 C11H20O9 296.274 —— methyl 4-acetamido-2,6-anhydro-5-(2,2,2-trifluoroacetamido)-7,8,9-tri-O-acetyl-3,4,5-trideoxy-D-glycero-D-talonon-2-enonate 1380213-25-1 C20H25F3N2O11 526.421 —— methyl 4-acetamido-2,6-anhydro-5-(2,2,2-trifluoroacetamido)-7,8,9-tri-O-acetyl-3,4,5-trideoxy-D-glycero-D-galactonon-2-enonate 1380213-24-0 C20H25F3N2O11 526.421 —— methyl 4-acetamido-2,6-anhydro-5-(2,2,3,3,3-pentafluoropropanamido)-7,8,9-tri-O-acetyl-3,4,5-trideoxy-D-glycero-D-talonon-2-enonate 1426563-29-2 C21H25F5N2O11 576.428 —— methyl 4-acetamido-2,6-anhydro-5-(2,2,3,3,4,4,4-heptafluorobutanamido)-7,8,9-tri-O-acetyl-3,4,5-trideoxy-D-glycero-D-talonon-2-enonate 1426563-31-6 C22H25F7N2O11 626.436 —— methyl (methyl 4,7,8,9-tetra-O-acetyl-3,5-dideoxy-β-D-ribo-non-5-en-2-ulopyranosid)-onate 120123-42-4 C19H26O12 446.408 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 - 1
- 2
反应信息
-
作为反应物：参考文献：名称：由N-乙酰基-d-葡糖胺合成N-乙酰神经氨酸和[6-2H] -N-乙酰神经氨酸