Spiro(1,3-dioxolo(4,5-g)isoquinoline-5(6H),7'-(7H)indeno(4,5-d)(1,3)dioxole)-6',8'-diol, 6',7,8,8'-tetrahydro-6-methyl-, (6'R,7'S,8'S)-
Basic information
- CAS
68736-95-8- Standard SMILES
CN1CCc2cc3c(cc2C12[C@H](O)c1ccc4c(c1[C@@H]2O)OCO4)OCO3- InChIKey
JQOTXJRWMCMWBT-LFPSWIHMSA-N- Molecular formula
- C20H19NO6
- Average molar mass
- 369.4 g/mol
- Monoisotopic mass
- 369.12123733
Names & identifiers
- Preferred name
- Spiro(1,3-dioxolo(4,5-g)isoquinoline-5(6H),7'-(7H)indeno(4,5-d)(1,3)dioxole)-6',8'-diol, 6',7,8,8'-tetrahydro-6-methyl-, (6'R,7'S,8'S)-
- IUPAC
- (6R,8S)-6'-methylspiro[6,8-dihydrocyclopenta[g][1,3]benzodioxole-7,5'-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline]-6,8-diol
Names & synonyms
68736-95-8Spiro(1,3-dioxolo(4,5-g)isoquinoline-5(6H),7'-(7H)indeno(4,5-d)(1,3)dioxole)-6',8'-diol, 6',7,8,8'-tetrahydro-6-methyl-, (6'R,7'S,8'S)-DTXSID30988428(6'R,8'S)-6-Methyl-6',7,8,8'-tetrahydro-2H,2'H,6H-spiro[[1,3]dioxolo[4,5-g]isoquinoline-5,7'-indeno[4,5-d][1,3]dioxole]-6',8'-diol6-Methyl-6',7,8,8'-tetrahydro-2H,2'H,6H-spiro[1,3-dioxolo[4,5-g]isoquinoline-5,7'-indeno[4,5-d][1,3]dioxole]-6',8'-diol
Database identifiers
- CAS
68736-95-8- PubChem CID
- 155174
- DTXSID
DTXSID30988428
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 80.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 0
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 605
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Compound notes
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