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[2-Acetyloxy-2-(2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)ethyl] acetate

HCID 249095
NotesReactions
Basic informationNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
18006-25-2
Standard SMILES
CC(=O)OCC(OC(C)=O)C1OC2OC(C)(C)OC2C1OCc1ccccc1
InChIKey
CIMPUIMAKYLKBF-UHFFFAOYSA-N
Molecular formula
C20H26O8
Average molar mass
394.4 g/mol
Monoisotopic mass
394.16276778

Names & identifiers

Preferred name
[2-Acetyloxy-2-(2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)ethyl] acetate
IUPAC
[2-acetyloxy-2-(2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)ethyl] acetate
English name
3-O-Benzyl-5,6-di-O-acetyl-1,2-O-isopropylidene-a-D-glucofuranose
Molecular formula
C20H26O8
Molecular weight
394.42

Names & synonyms

[2-acetyloxy-2-(2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)ethyl] acetate18006-25-23-O-Benzyl-5,6-di-O-acetyl-1,2-O-isopropylidene-alpha-D-glucofuranose5,6-di-o-acetyl-3-o-benzyl-1,2-o-(1-methylethylidene)hexofuranoseNSC67057DTXSID50290151NSC-670571-(6-(Benzyloxy)-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-5-yl)ethane-1,2-diyl diacetate3-O-Benzyl-5,6-di-O-acetyl-1,2-O-isoproylidene-a-D-glucofuranose3-O-Benzyl-5,6-di-O-acetyl-1,2-O-isopropylidene-α-D-glucofuranose3-O-Benzyl-5,6-di-O-acetyl-1,2-O-isopropylidene-α-D-glucofuranose3-O-Benzyl-5,6-di-O-acetyl-1,2-O-isoproylidene-alpha-D-glucofuranose
Show more names
1,2-O-(1-Methylethylidene)-3-O-(phenylMethyl)-α-D-glucofuranose Diacetateα-D-Glucofuranose, 1,2-O-(1-methylethylidene)-3-O-(phenylmethyl)-, 5,6-diacetate

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
89.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
8
Rotatable bonds
9
Heavy atoms
28
Formal charge
0
Complexity
556

Physicochemical properties

Melting point
119 · 119-119.5 °C
Boiling point
480.2 · 480.2±45.0 °C(Predicted)
Density
1.25 · 1.25±0.1 g/cm3(Predicted)

Chemistry & industry

Suppliers8 total

安耐吉化学&3A(安徽泽升科技有限公司)021-58432009 400-005-6266 · [email protected]
杭州璟皓生物科技有限公司(原河南辛迪加生物)17513242016 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
深圳菲斯生物科技有限公司0755-83725681-603
Watson Biotechnology Co.,Ltd+86-18186686046 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes

Database identifiers

CAS
18006-25-2、21241-10-1
PubChem CID
249095
DTXSID
DTXSID50290151