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Basic information
- CAS
131233-70-0- Standard SMILES
OC1[C@@H](O)[C@H](OCc2ccccc2)C(OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1O- InChIKey
DLTULJLWMBPREM-UZXVYOLYSA-N- Molecular formula
- C27H30O6
- Average molar mass
- 450.5 g/mol
- Monoisotopic mass
- 450.20423868
Names & identifiers
- Preferred name
- 1,5,6-Tri-O-benzylmyoinositol
- IUPAC
- (1R,3R,4S,6R)-4,5,6-tris(phenylmethoxy)cyclohexane-1,2,3-triol
- English name
- 1,5,6-tri-O-benzylmyoinositol
- Molecular formula
- C27H30O6
- Molecular weight
- 450.52
Names & synonyms
1,5,6-Tri-O-benzyl-myo-inositol131233-70-01,5,6-Tobmi1,5,6-Tri-O-benzylmyoinositolDLTULJLWMBPREM-UZXVYOLYSA-NSCHEMBL6575740DTXSID909271364,5,6-Tris(benzyloxy)cyclohexane-1,2,3-triolD-myo-Inositol, 1,5,6-tris-O-(phenylmethyl)-(1R,3R,4R,6S)-4,5,6-Tris(benzyloxy)cyclohexane-1,2,3-triolD-myo-Inositol, 1,5,6-tris-O-(phenylmethyl)- (9CI)
Database identifiers
- CAS
131233-70-0- PubChem CID
- 3035596
- DTXSID
DTXSID90927136
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- Topological polar surface area
- 88.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 505
Chemistry & industry
Suppliers1 total
山东子易医药有限公司13173053288 · [email protected]
Related reactions
1 records
Compound notes
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