Basic information
- Standard SMILES
CCB(CC)OC[C@@H]1OB(CC)O[C@H]1[C@H]1OB(CC)O[C@@H]1COB(CC)CC- InChIKey
VXDRNZCPLUPVOO-FZDBZEDMSA-N- Molecular formula
- C18H38B4O6
- Average molar mass
- 393.7 g/mol
- Monoisotopic mass
- 394.30406054
Names & identifiers
- Preferred name
- Galactitol, cyclic 2,3:4,5-bis(ethylboronate) 1,6-bis(diethylborinate)
- IUPAC
- [(4S,5R)-5-[(4S,5R)-5-(diethylboranyloxymethyl)-2-ethyl-1,3,2-dioxaborolan-4-yl]-2-ethyl-1,3,2-dioxaborolan-4-yl]methoxy-diethylborane
- English name
- 2-O,3-O:4-O,5-O-Bis(ethylboranediyl)-1-O,6-O-bis(diethylboryl)galactitol
- Molecular formula
- C18H38B4O6
- Molecular weight
- 393.74
Names & synonyms
58881-47-3Galactitol, cyclic 2,3:4,5-bis(ethylboronate) 1,6-bis(diethylborinate)RefChem:345980DTXSID501154477[(4R,4'S,5S,5'R)-2,2'-Diethyl[4,4'-bi-1,3,2-dioxaborolane]-5,5'-diyl]bis(methylene) bis(diethylborinate)[(4S,5R,5'S)-2,2'-Diethyl[4,4'-bi-1,3,2-dioxaborolane]-5,5'-diyl]bis(methylene) bis(diethylborinate)2-O,3-O:4-O,5-O-Bis(ethylboranediyl)-1-O,6-O-bis(diethylboryl)galactitol
Database identifiers
- CAS
58881-47-3- PubChem CID
- 101282592
- DTXSID
DTXSID501154477- Nikkaji
- J133.748C
Properties
Computed structural properties
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 13
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 389
Physicochemical properties
- Boiling point
- 435.684 · 435.684±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 0.952 · 0.952±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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