a-D-Glucopyranoside, methyl4,6-dideoxy-4-[[(1R,4S,5R,6R)-4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino]- | 141902-24-1
a-D-Glucopyranoside, methyl4,6-dideoxy-4-[[(1R,4S,5R,6R)-4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino]-
141902-24-1
C14H25NO8
335.3502
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:a-D-Glucopyranoside, methyl4,6-dideoxy-4-[[(1R,4S,5R,6R)-4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino]-结构式
名称和标识符
InChIKey |
KFHKERRGDZTZQJ-HHHVGSORSA-N |
Inchi |
InChI=1S/C14H25NO8/c1-5-8(11(19)13(21)14(22-2)23-5)15-7-3-6(4-16)9(17)12(20)10(7)18/h3,5,7-21H,4H2,1-2H3/t5-,7-,8-,9+,10-,11+,12-,13-,14+/m1/s1 |
SMILES |
CO[C@H]1O[C@H](C)[C@@H](N[C@@H]2C=C(CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O |
别名信息
- 英文别名 -
- a-D-Glucopyranoside, methyl4,6-dideoxy-4-[[(1R,4S,5R,6R)-4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino]-
- acarviosine
- methyl 4,6-dideoxy-4-{[(1R,4S,5R,6R)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranoside
- CHEBI:188586
- SCHEMBL5159805
- (S(-))-Acarviosine
- Acarviosine
- (R(-))-Acarviosine
- DTXSID30161850
- Methyl 4,6-dideoxy-4-(((1,4,6-5)-4,5,6-trihydroxy-3-hydroxymethyl-2-cyclohexen-1-yl)amino)glucopyranoside
- (1R,2R,3S,6R)-6-[[(2R,3S,4S,5R,6S)-4,5-dihydroxy-6-methoxy-2-methyloxan-3-yl]amino]-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol
- 141902-24-1
- Q4672157
- Acarviosin
- alpha-D-Glucopyranoside, methyl 4,6-dideoxy-4-((4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl)amino)-, (1R-(1alpha,4alpha,5beta,6alpha))-
物化性质
实验特性
折射率 |
1.614 |
沸点 |
576.5°Cat760mmHg |
闪点 |
302.4°C |
密度 |
1.48 |
计算特性
精确分子量 |
335.158 |
氢键供体数量 |
7 |
氢键受体数量 |
9 |
可旋转化学键数量 |
4 |
同位素质量 |
335.158 |
重原子数量 |
23 |
复杂度 |
433 |
同位素原子数量 |
0 |
确定原子立构中心数量 |
9 |
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) |
-3.7 |
拓扑分子极性表面积 |
152Ų |
相关文献
-
1.
Synthesis of potent α-glucosidase inhibitors: methyl acarviosin analogue composed of 1,6-anhydro-β-D-glucopyranose residue
Seiichiro Ogawa,Yasushi Shibata,Yasuhiro Kosuge,Kuninobu Yasuda,Toshimi Mizukoshi,Chikara Uchida J. Chem. Soc. Chem. Commun. 1990 1387
-
2.
Subject index, 1990
J. Chem. Soc. Chem. Commun. 1990 S1
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3.
A 1-acetamido derivative of 6-epi-valienamine: an inhibitor of a diverse group of β-N-acetylglucosaminidases
Adrian Scaffidi,Keith A. Stubbs,Rebecca J. Dennis,Edward J. Taylor,Gideon J. Davies,David J. Vocadlo,Robert V. Stick Org. Biomol. Chem. 2007 5 3013
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4.
Recent developments in preparative enzymatic syntheses of carbohydrates
Andrew S. Rowan,Chris J. Hamilton Nat. Prod. Rep. 2006 23 412
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5.
Contents pages
J. Chem. Soc. Chem. Commun. 1990 P077
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6.
Synthesis of trehazolin analogues containing modified sugar moieties
Chikara Uchida,Hideo Kitahashi,Shinsuke Watanabe,Seiichiro Ogawa J. Chem. Soc. Perkin Trans. 1 1995 1707