Basic information
- CAS
3891-59-6- Standard SMILES
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O- InChIKey
LPTITAGPBXDDGR-IBEHDNSVSA-N- Molecular formula
- C16H22O11
- Average molar mass
- 390.34 g/mol
- Monoisotopic mass
- 390.11621152
Overview
Beta-d-glucose pentaacetate is an organooxygen compound. It is functionally related to a hexacarboxylic acid.
Names & identifiers
- Preferred name
- beta-D-Glucose pentaacetate
- IUPAC
- [(2R,3R,4S,5R,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate
- English name
- alpha-D-Glucose pentaacetate
- Molecular formula
- C16H22O11
- Molecular weight
- 390.34
Names & synonyms
beta-D-Glucose pentaacetate604-69-3V833P95COC[(2R,3R,4S,5R,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetateDTXSID60861654beta-D-Glucopyranose, pentaacetateNSC-2140782,3,4,6-Tetra-O-acetyl-beta-D-glucopyranosyl acetate((2R,3R,4S,5R,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl)methyl acetateRefChem:567575DTXCID801841936FEMA NO. 2524, BETA-
Show more names
D-GLUCOSE PENTAACETATEPentaacetylglucose1,2,3,4,6-PENTA-O-ACETYL-D-GLUCOPYRANOSEGlucose acetateEINECS 223-439-1Gulose pentaacetateA,B-D-GLUCOSE PENTAACETATEalpha-D-Glucose pentaacetateBeta-D-GlucosePentaacetate98%d-Allose, pentaacetate(ester)
glucose pentaacetate, (beta-(D))-210-074-8154395-36-5Penta-O-acetyl-beta-D-glucopyranose1,2,3,4,6-Penta-O-acetyl-b-D-glucopyranoseB-D-GLUCOSE PENTAACETATE(2S,3R,4S,5R,6R)-6-(acetoxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetrayl tetraacetateMFCD00006597
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 11
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 599
Experimental & physicochemical properties
Chemical ClassesBiological Agents -> Monosaccharides and Derivatives
SpringerMaterials PropertiesDensity
LogP0.63
Solubility1.5 mg/mL at 18 °C
Boiling Point454.00 to 456.00 °C. @ 760.00 mm Hg
Melting Point135 °C
Physical Description
White powder; [Sigma-Aldrich MSDS]
Solid
Physicochemical properties
- Melting point
- 110 °C · 110°C
- Boiling point
- 435.58 °C · 435.58°C (rough estimate)
- Density
- 1.3984 · 1.3984 (rough estimate)
- refractive index
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (32 of 32) of all reports.
Not Classified
Aggregated GHS information provided per 32 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: .beta.-D-Glucopyranose, pentaacetate
Status: Active Update: 11-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22257
.beta.-D-Glucopyranose, pentaacetate: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
- hs_code
- 29400090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Preparation methods
PreparationBy acetylation of glucose using any number of techniques, including ZnCl2 and pyridine, sodium acetate, and acetic anhydride and pyridine.
Upstream & downstream products
Upstream raw materials
Suppliers99 total
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
武汉远启医药化工有限公司18971192297 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
陕西缔都化学有限公司
Related reactions
38 records
Compound notes
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