Cyclomaltoheptaose-1-adamantanemethanol
Basic information
- CAS
101412-93-5- Standard SMILES
O.O.O.OCC12CC3CC(CC(C3)C1)C2.OCC1O[C@@H]2O[C@@H]3C(CO)O[C@H](O[C@@H]4C(CO)O[C@H](O[C@@H]5C(CO)O[C@H](O[C@@H]6C(CO)O[C@H](O[C@@H]7C(CO)O[C@H](O[C@@H]8C(CO)O[C@H](O[C@H]1C(O)C2O)C(O)C8O)C(O)C7O)C(O)C6O)C(O)C5O)C(O)C4O)C(O)C3O- InChIKey
NXYKOJRRZLCQBW-DCNYAWAYSA-N- Molecular formula
- C53H94O39
- Average molar mass
- 1,355.3 g/mol
- Monoisotopic mass
- 1,354.5372231
Names & identifiers
- Preferred name
- Cyclomaltoheptaose-1-adamantanemethanol
- IUPAC
- 1-adamantylmethanol;(1S,3R,6S,8R,11S,13R,16S,18R,21S,23R,26S,28R,31S,33R)-5,10,15,20,25,30,35-heptakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol;trihydrate
- English name
- cyclomaltoheptaose-1-adamantanemethanol
- Molecular formula
- C53H94O39
- Molecular weight
- 1355.29006
Names & synonyms
Cmh-AMCyclomaltoheptaose-1-adamantanemethanol101412-93-5RefChem:129765
Database identifiers
- CAS
101412-93-5- PubChem CID
- 64555
Properties
Computed structural properties
- Topological polar surface area
- 577 Ų
- Hydrogen bond donors
- 25
- Hydrogen bond acceptors
- 39
- Rotatable bonds
- 8
- Heavy atoms
- 92
- Formal charge
- 0
- Complexity
- 1,640
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