Basic information
- CAS
13224-99-2- Standard SMILES
CC1OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O1- InChIKey
VZPBLPQAMPVTFO-NKWOADHPSA-N- Molecular formula
- C8H14O6
- Average molar mass
- 206.19 g/mol
- Monoisotopic mass
- 206.07903816
Names & identifiers
- Preferred name
- 4,6-O-Ethylidene-alpha-D-glucopyranose
- IUPAC
- (4aR,6S,7R,8R,8aS)-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6,7,8-triol
- English name
- 4,6-O-Ethylidene-alpha-D-glucose
- Molecular formula
- C8H14O6
- Molecular weight
- 206.19
Names & synonyms
13224-99-2Ethylidene glucose4,6-O-Ethylidene Glucose4,6-O-Ethylidene-alpha-D-glucopyranoseRefChem:139172236-198-24,6-O-Ethylidene-alpha-D-glucose4,6-O-Ethylidene-|A-D-glucoseEthylidene-glucosealpha-D-Glucopyranose, 4,6-O-ethylidene-MFCD00006820(4aR,6S,7R,8R,8aS)-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6,7,8-triol
Show more names
4,6-O-ethylidene-D-glucose4,6-O-ETHYLIDENE-A-D-GLUCOSE4,6-O-Ethylidene-α-D-glucose4,6-O-Ethylidene-α-D-glucopyranoseEthylidene Glucose extrapure, 90%4，6-O-Ethylidene-α-D-glucopyranose
NSC 89726Ethylideneglucose4,6-O-Ethylidene--D-glucopyranoseEINECS 236-198-2a-D-Glucopyranose, 4,6-O-ethylidene-orb1745082SCHEMBL67060884,6-O-Ethylidenehexopyranose #
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- -1.8
- Topological polar surface area
- 88.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 210
Physicochemical properties
- Melting point
- 168 · 168-170 °C(lit.)
- Boiling point
- 386.6 · 386.6±42.0 °C(Predicted)
- Density
- 1.446 · 1.446±0.06 g/cm3(Predicted)
- Flash point
- 110 ° · >110°(230°F)
- solubility
- Ethanol, Water
- pka
- 12.01 · 12.01±0.70(Predicted)
- form
- Powder
- color
- White to Off-white
- Water Solubility
- almost transparency
- InChI
- 1S/C8H14O6/c1-3-12-2-4-7(13-3)5(9)6(10)8(11)14-4/h3-11H,2H2,1H3/t3,4-,5-,6-,7-,8+/m1/s1
- InChIKey
- VZPBLPQAMPVTFO-NKWOADHPSA-N
- SMILES
- CC1OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O1
- LogP
- 0.54 · 0.54
- CAS DataBase Reference
- 13224 · 13224-99-2(CAS DataBase Reference)
- UNSPSC Code
- 12352200 · 12352200
- NACRES
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% (5 of 5) of all reports.
Not Classified
Aggregated GHS information provided per 5 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationREACH registered substance: 4,6-O-ethylidene-α-D-glucose (EC: 236-198-2)
Hazard Classes and CategoriesNot Classified
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 29400090
- safety_code
- 24/25
- Storage Class
- 11 - Combustible Solids
- REACH Registrations
- Active
Chemistry & industry
Applications
Uses4,6-O-Ethylidene-D-glucose is an intermediate in synthesizing α-Etoposide (E933745), which is a cytotoxic agent (anticancer drug), which belongs to the drug type topoisomerase inhibitor. It is also an antineoplastic drug.
Upstream & downstream products
Upstream raw materials
Suppliers70 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]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
北京泰和景明医药科技有限公司15011440205 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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