Basic information
- CAS
5346-77-0- Standard SMILES
CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(COC(C)=O)OC(C)=O- InChIKey
NJVBTKVPPOFGAT-UHFFFAOYSA-N- Molecular formula
- C18H26O12
- Average molar mass
- 434.4 g/mol
- Monoisotopic mass
- 434.14242626
Overview
See also: Sorbitol hexaacetate (annotation moved to).
Names & identifiers
- Preferred name
- 1,2,3,4,5,6-Hexa-O-acetylhexitol
- IUPAC
- 2,3,4,5,6-pentaacetyloxyhexyl acetate
- English name
- HEXA-O-ACETYL-D-MANNITOL
- Molecular formula
- C18H26O12
- Molecular weight
- 434.39
Names & synonyms
DTXSID809681591,2,3,4,5,6-Hexa-O-acetylhexitolRefChem:1051897DTXCID201033743D-Glucitol, hexaacetateHexa-O-acetylglucitolD-Glucitol hexaacetate1,2,3,4,5,6-Hexa-O-acetyl-l-iditolMANNITOL HEXAACETATE74033-72-0HEXA-O-ACETYL-D-MANNITOLHexane-1,2,3,4,5,6-hexayl hexaacetate
Show more names
HEXAACETYL MANNITOLMANNITOL HEXACETATEHEXA-O-ACETYL-D-MANNITOL 96+%D-Mannitol, 1,2,3,4,5,6-hexaacetate1,2,3,4,5,6-Hexa-O-acetyl-D-mannitol1-O,2-O,3-O,4-O,5-O,6-O-Hexaacetyl-D-mannitol
D-Mannitol hexaacetate2,3,4,5,6-pentaacetyloxyhexyl acetateMannitol, hexaacetateL-Iditol, hexaacetateD-Mannitol, hexaacetateHexa-O-acetyl-D-glucitolGlucitol, hexaacetate, D-SCHEMBL13168216
Database identifiers
- CAS
5346-77-0、642-00-2、7208-47-1- PubChem CID
- 23613
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 158 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 17
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 600
Physicochemical properties
- Melting point
- 122 · 122-124 °C
- Boiling point
- 466.8 · 466.8±45.0 °C(Predicted)
- Density
- 1.248 · 1.248±0.06 g/cm3(Predicted)
- Safety Statements
- 22 · 22-24/25
- WGK Germany
- 3 · 3
- F
- 21 · 21
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
- F
- 21
- wgk
- 3
- safety_code
- 22-24/25
Chemistry & industry
Suppliers3 total
杭州璟皓生物科技有限公司（原河南辛迪加生物）17513242016 · [email protected]
Watson Biotechnology Co.,Ltd+86-18186686046 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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