Basic information
- CAS
5434-31-1- Standard SMILES
C1OC2COCOC2C2OCOCC2O1- InChIKey
QQQVHHWRMWBKNS-UHFFFAOYSA-N- Molecular formula
- C9H14O6
- Average molar mass
- 218.2 g/mol
- Monoisotopic mass
- 218.07903816
Names & identifiers
- Preferred name
- 1,3:2,5:4,6-Tri-O-methylene-D-mannitol
- IUPAC
- 3,5,8,10,13,15-hexaoxatricyclo[9.4.0.02,7]pentadecane
Names & synonyms
1,3:2,5:4,6-Tri-O-methylene-D-mannitol5434-31-17470-74-8NSC15763EINECS 226-600-4AI3-379643,5,8,10,13,15-Hexaoxatricyclo[9.4.0.02,7]pentadecaneNSC-15763NSC402436NSC-402436
Database identifiers
- CAS
5434-31-1、7470-74-8- PubChem CID
- 110658
- EC Number
- 226-600-4
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 201
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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