名称和标识符别名信息物化性质安全信息国际标准相关数据相关文献专业数据库参考参考资料化合物详情（旧版）相关分类相关产品

3,4,6-三苄氧基-D-葡萄烯糖 | 55628-54-1

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中文名称： 3,4,6-三苄氧基-D-葡萄烯糖

英文名称： (2R,3S,4R)-3,4-bis(benzyloxy)-2-[(benzyloxy)methyl]-3,4-dihydro-2H-pyran

CAS No.： 55628-54-1

分子式： C₂₇H₂₈O₄

分子量： 416.5088

如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击：3,4,6-三苄氧基-D-葡萄烯糖结构式

MSDS： 3,4,6-三苄氧基-D-葡萄烯糖MSDS

PubChem CID： 24860481

价格行情： 3,4,6-三苄氧基-D-葡萄烯糖价格

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3,4,6-三苄氧基-D-葡萄烯糖的其他展现形式

相关化合物

4-O-苯甲基-L-萤石

L-arabino-Hex-5-enitol,2,6-anhydro-1,5-dideoxy-3-O-(phenylmethyl)-

CAS No.：137035-65-5
4-O-苯甲基-D-葡萄烯糖

D-arabino-Hex-1-enitol,1,5-anhydro-2-deoxy-4-O-(phenylmethyl)-

CAS No.：58871-11-7
4-O-苯甲基-D-半乳醛

D-arabino-Hex-5-enitol,2,6-anhydro-5-deoxy-3-O-(phenylmethyl)-

CAS No.：157380-76-2
1,5-脱水-2-脱氧-6-O-(苯基甲基)-D-阿拉伯-己-1-烯糖

(2R,3S,4R)-2-((Benzyloxy)methyl)-3,4-dihydro-2H-pyran-3,4-diol

CAS No.：165524-85-6
D-arabino-Hex-1-enitol,1,5-anhydro-2-deoxy-3,6-bis-O-(phenylmethyl)-

CAS No.：145852-76-2
L-arabino-Hex-1-enitol,1,5-anhydro-2,6-dideoxy-3,4-bis-O-(phenylmethyl)-

CAS No.：117249-17-9

名称和标识符

MDL	MFCD00061640
InChIKey	MXYLLYBWXIUMIT-PFBJBMPXSA-N
Inchi	1S/C27H28O4/c1-4-10-22(11-5-1)18-28-21-26-27(31-20-24-14-8-3-9-15-24)25(16-17-29-26)30-19-23-12-6-2-7-13-23/h1-17,25-27H,18-21H2/t25-,26-,27+/m1/s1
SMILES	O(C([H])([H])C1C([H])=C([H])C([H])=C([H])C=1[H])[C@@]1([H])[C@@]([H])(C([H])=C([H])O[C@]1([H])C([H])([H])OC([H])([H])C1C([H])=C([H])C([H])=C([H])C=1[H])OC([H])([H])C1C([H])=C([H])C([H])=C([H])C=1[H]

别名信息

- 中文别名 -

3,4,6-三苄氧基-D-葡萄烯糖
三-O-苄基-D-葡萄烯糖
3,4,6-三-O-苯甲基-D-葡萄烯糖
Tri-O-benzyl-D-glucal 三-O-苄基-D-葡萄烯糖
Tri-O-苄基-D-葡萄烯糖

三-O-苄基-D-己烯糖
三苄基-D-葡萄糖烯

- 英文别名 -

3,4,6-Tri-O-benzyl-D-glucal
Tri-O-benzyl-D-glucal
(2R,3S,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran
1,5-Anhydro-3,4,6-tri-O-benzyl-2-deoxy-D-arabinohex-1-enitol
1,5-Anhydro-2-deoxy-D-arabino-hex-1-enitol 3,4,6-Tribenzyl Ether

(3R,4S,5R)-3,4,6-Tri-O-benzyl-D-glucal
(2R,3S,4R)-3,4-bis(benzyloxy)-2-[(benzyloxy)methyl]-3,4-dihydro-2H-pyran
C27H28O4
AK117268
PubChem10548
MXYLLYBWXIUMIT-PFBJBMPXSA-N
FCH3878292
AX8155644
ST24041129
X4784
040T795
1,5-Anhydro-2-deoxy
DS-4856
V10106
T-5925
AKOS016010555
SCHEMBL1578789
CS-0053470
Rel-(2R,3S,4R)-3,4-bis(benzyloxy)-2-((benzyloxy)methyl)-3,4-dihydro-2H-pyran
Tri-O-benzyl-D-glucal, 97%
869812-49-7
AMY34382
MFCD00061640
W-203096
DTXSID70471566
55628-54-1
T1859
(2R,3S,4R)-3,4-bis(benzyloxy)-2-(benzyloxymethyl)-3,4-dihydro-2H-pyran

物化性质

实验特性

LogP	5.28650
PSA	36.92000
折射率	-2 ° (C=2.5, CH3CN)
水溶性	Insoluble in water, easily soluble in CHCl3
沸点	544.9°C at 760 mmHg
熔点	57-58 °C (lit.)
闪点	129.7±36.9 °C
颜色与性状	粉末
溶解性	未确定
敏感性	Hygroscopic
比旋光度	-2.7 º (c=5 in chloroform)
光学活性	[α]25/D −2.7°, c = 5 in chloroform
密度	1.0800 (rough estimate)

计算特性

精确分子量	416.19900
氢键供体数量	0
氢键受体数量	4
可旋转化学键数量	10
同位素质量	416.198759
重原子数量	31
复杂度	503
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）	4.5
表面电荷	0
拓扑分子极性表面积	36.9

安全信息

WGK Germany	3
安全术语	S24/25
安全说明	S24/25
风险术语	R34
危险品标志	C
危险品运输编号	NONH for all modes of transport
危害声明	H302
警示性声明	P280-P305+P351+P338
储存条件	−20°C
危险类别码	34
信号词	Warning
FLUKA BRAND F CODES	10-21
监管条件代码	Q类（糖类，生物碱类，抗生素类，激素类）

国际标准相关数据

EINECS	MFCD00061640

相关文献

1. 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
2. C-2 auxiliaries for stereoselective glycosylation based on common additive functional groups
Frank F. J. de Kleijne,Sam J. Moons,Paul B. White,Thomas J. Boltje Org. Biomol. Chem. 2020 18 1165
3. 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
4. Lewis acid–surfactant-combined catalyzed synthesis of 4-aminocyclopentenones from glycals in water
Siming Wang,Ronny William,Kim Kui Georgina Estelle Seah,Xue-Wei Liu Green Chem. 2013 15 3180
5. ‘Chiron’ approach to stereoselective synthesis of sphinganine and unnatural safingol, an antineoplastic and antipsoriatic agent
Pintu Das,Somireddy Kundooru,Arun K. Shaw RSC Adv. 2016 6 14505
6. A concise synthesis of 3-deoxy-2-O-methyl-4,5,7-tri-O-benzyl-D-arabino-heptulosonic acid and related compounds from 3,4,6-tri-O-benzyl-D-glucal
David Crich,Timothy J. Ritchie J. Chem. Soc. Chem. Commun. 1988 985
7. Cationic poly-amido-saccharides: stereochemically-defined, enantiopure polymers from anionic ring-opening polymerization of an amino-sugar monomer
Anant S. Balijepalli,Aladin Hamoud,Mark W. Grinstaff Polym. Chem. 2020 11 1926
8. The evolution of comprehensive strategies for furanoid glycal synthesis and their applications
Pinki Pal,Arun K. Shaw RSC Adv. 2017 7 25897
9. Substrate and stereocontrolled iodocycloetherification of highly functionalized enantiomerically pure allylic alcohols: application to synthesis of cytotoxic 2-epi jaspine B and its biological evaluation
Somireddy Kundooru,Pintu Das,Sanjeev Meena,Vikash Kumar,Mohammad Imran Siddiqi,Dipak Datta,Arun K. Shaw Org. Biomol. Chem. 2015 13 8241
10. Stereodivergent routes in organic synthesis: carbohydrates, amino acids, alkaloids and terpenes
Carmen Nájera,Francisco Foubelo,José M. Sansano,Miguel Yus Org. Biomol. Chem. 2020 18 1232

专业数据库参考

PubChemId	24860481

参考资料

Reaxys RN	1691968
Beilstein	1691968

化合物详情（旧版）

SMILES

C1=CC=C(C=C1)COC[C@@H]2[C@@H](OCC3=CC=CC=C3)[C@@H](C=CO2)OCC4=CC=CC=C4

3,4,6-三苄氧基-D-葡萄烯糖 | 55628-54-1

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