D-三乙酰半乳糖烯 | 4098-06-0
中文名称:
D-三乙酰半乳糖烯
英文名称:
[(2R,3R,4R)-3,4-bis(acetyloxy)-3,4-dihydro-2H-pyran-2-yl]methyl acetate
CAS No.:
4098-06-0
分子式:
C1 2 H1 6 O7
分子量:
272.25124
名称和标识符
MDL
MFCD00064092
InChIKey
LLPWGHLVUPBSLP-IJLUTSLNSA-N
Inchi
1S/C12H16O7/c1-7(13)17-6-11-12(19-9(3)15)10(4-5-16-11)18-8(2)14/h4-5,10-12H,6H2,1-3H3/t10-,11-,12-/m1/s1
SMILES
CC(=O)OC[C@H]1OC=C[C@@H](OC(C)=O)[C@H]1OC(C)=O
别名信息
- 中文别名 -
D-三乙酰半乳糖烯
3,4,6-O-三乙酰基-D-半乳糖烯
三-O-乙酰-D-半乳糖烯
3,4,6-三-O-乙酰基-D-半乳糖烯
Tri-O-acetyl-D-galactal 三-O-乙酰-D-半乳糖烯
3,4,6-3-O-乙酰-D-半乳醛
3,4,6-O-三乙酰基-D-半乳糖烯,D-三乙酰半乳糖烯
3,4,6-三-O-乙酰基-D-半乳醛
3,4,6-三乙酰-D-半乳糖烯
三-
三乙酰半乳糖烯
-乙酰-D-半乳糖烯
- 英文别名 -
(2R,3R,4R)-2-(acetoxymethyl)-3,4-dihydro-2H-pyran-3,4-diyl diacetate
1,2-Dideoxy-3,4,6-tri-O-acetyl-D-lyxo-1-hexenopyranose
2,6-Anhydro-5-deoxy-D-arabino-hex-5-enitol triacetate
Tri-O-acetyl-D-galactal
(2R,3R,4R,5R,6R)-2-(acetoxymethyl)-5-azido-6-bromotetrahydro-2H-pyran-3,4-diyl diacetate
[(2R,3R,4R)-3,4-diacetyloxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate
3,4,6-Tri-O-acetyl-D-galactal
D-Galactal Triacetate
1,5-Anhydro-2-deoxy-D-lyxo-hex-1-enitol 3,4,6-Tri-O-acetyl Ether
2,6-Anhydro-5-deoxy-D-arabino-hex-5-enitol triacetate hexenopyranose
[(2R,3R,4R)-3,4-bis(acetyloxy)-3,4-dihydro-2H-pyran-2-yl]methyl acetate
1,3,4-Tri-O-acetyl-2,6-anhydro-5-deoxyhex-5-enitol
MFCD00064092
4098-06-0
AC-8551
A825375
(2R,3R,4R)-2-(acetoxymethyl)-3,4-dihydro-2H-pyran-3,4-diyldiacetate
LLPWGHLVUPBSLP-IJLUTSLNSA-N
W-202682
C12H16O7
DTXSID50193976
Tri-O-acetyl-D-galactal, 97%
NS00030895
Q63409465
1,3,4-tri-O-acetyl-2,6-anhydro-5-deoxy-D-arabino-hex-5-enitol
WLZ3741
D-arabino-Hex-5-enitol, 2,6-anhydro-5-deoxy-, triacetate
T1734
SCHEMBL78636
[(2R,3R,4R)-3,4-diacetoxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate
(2R,3R,4R)-2-(Acetoxymethyl)-3,4-dihydro-2H-pyran-3,4-diyl diacetate
DS-17203
AMY2470
tri-o-acetylgalactal
AKOS015919104
物化性质
实验特性
LogP
0.32540
PSA
88.13000
折射率
1.4645-1.4665
水溶性
不溶
沸点
343.1°C at 760 mmHg
熔点
34-38 ºC
闪点
>230 °F
溶解度
Soluble in chloroform at 10mg/ml
颜色与性状
淡黄色油状
比旋光度
-20 º (c=1 CHCl3)
密度
1.2400
计算特性
精确分子量
272.09000
氢键供体数量
0
氢键受体数量
7
可旋转化学键数量
7
同位素质量
272.09
重原子数量
19
复杂度
388
同位素原子数量
0
确定原子立构中心数量
3
不确定原子立构中心数量
0
确定化学键立构中心数量
0
不确定化学键立构中心数量
0
共价键单元数量
1
疏水参数计算参考值(XlogP)
0.2
互变异构体数量
无
表面电荷
0
拓扑分子极性表面积
88.1A^2
海关数据
海关编码
2932999099
海关数据
中国海关编码:
2932999099
概述:
2932999099. 其他仅含氧杂原子的杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素:
品名, 成分含量, 用途
Summary:
2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
相关文献
1.
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Palladium(ii)-catalyzed stereoselective synthesis of C-glycosides from glycals with diaryliodonium salts
Kumar Bhaskar Pal,Jiande Lee,Mrinmoy Das,Xue-Wei Liu Org. Biomol. Chem. 2020 18 2242
3.
Aluminium triflate catalysed O-glycosidation: temperature-switched selective Ferrier rearrangement or direct addition with alcohols
D. Bradley G. Williams,Sandile B. Simelane,Henok H. Kinfe Org. Biomol. Chem. 2012 10 5636
4.
Unsaturated carbohydrates. Part IV. Allylic rearrangement reactions of 3,4,6-tri-O-acetyl-D-galactal
D. M. Ciment,R. J. Ferrier J. Chem. Soc. C 1966 441
5.
Regio and stereoselective synthesis of β-keto functionalized C-glycosides via iron catalyzed Ferrier rearrangement reactions
Hong Yee Tan,Shaohua Xiang,Wei Lin Leng,Xue-Wei Liu RSC Adv. 2014 4 34816
6.
Facile O-glycosylation of glycals using Glu-Fe3O4-SO3H, a magnetic solid acid catalyst
Raju S. Thombal,Vrushali H. Jadhav RSC Adv. 2016 6 30846
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A mild and environmentally benign method for the synthesis of glycals in PEG-600/H2O
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8.
1038. Unsaturated carbohydrates. Part II. Three reactions leading to unsaturated glycopyranosides
R. J. Ferrier J. Chem. Soc. 1964 5443
9.
Synthesis and biological activity of divalent ligands based on 3-deoxy-4-thiolactose, an isosteric analogue of lactose
Alejandro J. Cagnoni,Oscar Varela,José Kovensky,María Laura Uhrig Org. Biomol. Chem. 2013 11 5500
10.
A mild and efficient Zn-catalyzed C-glycosylation: synthesis of C(2)–C(3) unsaturated C-linked glycopyranosides
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参考资料
Reaxys RN
90782
Beilstein
17(5)5,700
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