Basic information
- CAS
18549-40-1- Standard SMILES
CC1(C)O[C@H]2O[C@H]([C@H](O)CO)[C@H](O)[C@H]2O1- InChIKey
BGGCXQKYCBBHAH-OZRXBMAMSA-N- Molecular formula
- C9H16O6
- Average molar mass
- 220.22 g/mol
- Monoisotopic mass
- 220.09468823
Overview
RN given refers to (alpha-D)-isomer
Names & identifiers
- Preferred name
- 1,2-O-Isopropylidene-alpha-D-glucofuranose
- IUPAC
- (1R)-1-[(3aR,5R,6S,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol
- English name
- 1,2-O-Isopropylidene-D-glucofuranose
- Molecular formula
- C9H16O6
- Molecular weight
- 220.22
Names & synonyms
18549-40-11,2-O-Isopropylidene-alpha-D-glucofuranose1,2-O-Isopropylidene-D-glucofuranoseDTXSID80885054alpha-D-Glucofuranose, 1,2-O-(1-methylethylidene)-monoacetone-glucoseRefChem:111172DTXCID901024460242-420-9Monoacetone glucoseMFCD000632441,2-O-Isopropylidene-a-d-glucofuranose
Show more names
ACETONE-D-GLUCOSE1,2-O-Isopropylidene-α-D-glucofuranose(1R)-1-((5R,6S,6aR)-6-hydroxy-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-5-yl)ethane-1,2-diolAcetone GlucoseMonoketoglucoseMONOACETONGLUCOSE1,2-O-Isopropylidene
EINECS 242-420-9.alpha.-D-Glucofuranose, 1,2-O-(1-methylethylidene)-(1R)-1-[(3aR,5R,6S,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol(R)-1-((3aR,5R,6S,6aR)-6-Hydroxy-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-5-yl)ethane-1,2-diolGlucofuranose, 1,2-O-isopropylidene-, alpha-D-a-d-Glucofuranose, 1,2-O-(1-methylethylidene)-DS-14843NSC 1697
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 88.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 243
Physicochemical properties
- Melting point
- 159 · 159-160 °C(lit.)
- alpha
- -13 · -13 º (c=1, H2O)
- Boiling point
- 321.15 °C · 321.15°C (rough estimate)
- Density
- 1.256 · 1.2560 (rough estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
- storage temp.
- -20 °C · -20°C
- solubility
- Methanol (Slightly), Water (Slightly)
- form
- Solid
- pka
- 13.19 · 13.19±0.60(Predicted)
- color
- White
- optical activity
- 20 · [α]20/D 13°, c = 1 in H2O
- BRN
- 82670 · 82670
- InChIKey
- BGGCXQKYCBBHAH-HEIBUPTGSA-N
- CAS DataBase Reference
- 18549 · 18549-40-1(CAS DataBase Reference)
- NIST Chemistry Reference
- 1 · 1,2-O-isopropylidene-d-glucofuranose(18549-40-1)
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% (6 of 6) of all reports.
Not Classified
Aggregated GHS information provided per 6 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
REACH registered substance: 1,2-O-isopropylidene-α-D-glucofuranose (EC: 242-420-9)
.alpha.-D-Glucofuranose, 1,2-O-(1-methylethylidene)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
Safety data
- F
- 21
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29329990
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 24/25-36-26
- Hazard statements
- H302-H315-H319-H335
- REACH Registrations
- Active
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing Information.alpha.-D-Glucofuranose, 1,2-O-(1-methylethylidene)-: ACTIVE
Applications
Uses1,2-O-Isopropylidene-alpha-D-glucofuranose is used in method for preparaing Tribenoside.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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