Basic information
- CAS
63956-96-7- Standard SMILES
CC1CC2=C(O1)C(OCC(O)C[NH2+]C(C)(C)C)=C1OCCC(O)=C1C2.[Cl-]- InChIKey
QGXQXDZTGAZOJC-UHFFFAOYSA-N- Molecular formula
- C19H30ClNO5
- Average molar mass
- 387.9 g/mol
- Monoisotopic mass
- 387.1812508
Names & identifiers
- Preferred name
- 5H-Furo(3,2-g)(1)benzopyran, 2,3,6,7-tetrahydro-9-(3-(tert-butylamino)-2-hydroxypropoxy)-4-hydroxy-7-methyl-, hydrochloride
- IUPAC
- tert-butyl-[2-hydroxy-3-[(5-hydroxy-2-methyl-3,4,6,7-tetrahydro-2H-furo[3,2-g]chromen-9-yl)oxy]propyl]azanium chloride
Names & synonyms
63956-96-75H-Furo(3,2-g)(1)benzopyran, 2,3,6,7-tetrahydro-9-(3-(tert-butylamino)-2-hydroxypropoxy)-4-hydroxy-7-methyl-, hydrochlorideRefChem:305644
Database identifiers
- CAS
63956-96-7- PubChem CID
- 45697
Properties
Computed structural properties
- Topological polar surface area
- 84.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 626
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…