Basic information
- CAS
6339-03-3- Standard SMILES
CC1(C)OC2OC(C(COC(=O)c3ccccc3)OC(=O)c3ccccc3)C(OC(=O)c3ccccc3)C2O1- InChIKey
KAALWXODPZBQSC-UHFFFAOYSA-N- Molecular formula
- C30H28O9
- Average molar mass
- 532.5 g/mol
- Monoisotopic mass
- 532.17333247
Names & identifiers
- Preferred name
- [2-Benzoyloxy-2-(6-benzoyloxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)ethyl] benzoate
- IUPAC
- [2-benzoyloxy-2-(6-benzoyloxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)ethyl] benzoate
- English name
- 1,2-O-Isopropylidene-3,5,6-tri-O-benzoyl-alpha-D-glucofuranose
- Molecular formula
- C30H28O9
- Molecular weight
- 532.53792
Names & synonyms
[2-benzoyloxy-2-(6-benzoyloxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)ethyl] benzoate6339-03-3NSC38174KAALWXODPZBQSC-UHFFFAOYSA-N(R)-1-((3aR,5R,6S,6aR)-6-(benzoyloxy)-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-5-yl)ethane-1,2-diyl dibenzoateNSC-381743,5,6-O-Tribenzoyl-1,2-O-isopropylidene d-glucofuranose3,5,6-Tri-O-benzoyl-1,2-O-(1-methylethylidene)hexofuranose #3,5,6-Tri-O-benzoyl-1,2-O-isopropylidene-α-D-glucofuranose3,4,5-Tri-O-benzoyl-1,2-O-isopropylidene-α-D-glucofuranose1,2-O-Isopropylidene-3,5,6-tri-O-benzoyl-alpha-D-glucofuranoseα-D-Glucofuranose, 1,2-O-(1-methylethylidene)-, tribenzoate (9CI)
Database identifiers
- CAS
6339-03-3- PubChem CID
- 236121
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 11
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 854
Physicochemical properties
- Melting point
- 199 °C · 199 °C
- Boiling point
- 646.7 · 646.7±55.0 °C(Predicted)
- Density
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 280 · P280-P302+P352-P362+P364
- HS Code
- 2932990090 · 2932990090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2932990090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P280-P302+P352-P362+P364
Chemistry & industry
Suppliers6 total
南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]
上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]
上海维亦特生物科技有限公司15317051735 · [email protected]
南京世洲生物科技有限公司13675144456 · [email protected]
上海贝万塔生物科技有限公司021-67187366 19901745723 · [email protected]
上海甄准生物科技有限公司18019219489 18901678489 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…