4H-Dibenzo(de,g)quinoline, 5,6,6a,7-tetrahydro-10,11-bis(methoxymethoxy)-6-methyl-, (R)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (1:1)
Basic information
- CAS
61389-40-0- Standard SMILES
COCOc1ccc2c(c1OCOC)-c1cccc3c1[C@@H](C2)N(C)CC3.O=C(O)[C@H](O)[C@@H](O)C(=O)O- InChIKey
VMHSDLRHVPUSDF-MYNXEKQJSA-N- Molecular formula
- C25H31NO10
- Average molar mass
- 505.5 g/mol
- Monoisotopic mass
- 505.19479619
Names & identifiers
- Preferred name
- 4H-Dibenzo(de,g)quinoline, 5,6,6a,7-tetrahydro-10,11-bis(methoxymethoxy)-6-methyl-, (R)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (1:1)
- IUPAC
- (6aR)-10,11-bis(methoxymethoxy)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline;(2R,3R)-2,3-dihydroxybutanedioic acid
Names & synonyms
4H-Dibenzo(de,g)quinoline, 5,6,6a,7-tetrahydro-10,11-bis(methoxymethoxy)-6-methyl-, (R)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (1:1)61389-40-0DTXSID10210310RefChem:297513DTXCID10132801(2R,3R)-2,3-Dihydroxybutanedioic acid--(6aR)-10,11-bis(methoxymethoxy)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline (1/1)
Database identifiers
- CAS
61389-40-0- PubChem CID
- 3045991
- DTXSID
DTXSID10210310
Properties
Computed structural properties
- Topological polar surface area
- 155 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 9
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 595
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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