Methyl tetra-O-methylcarminate
Basic information
- CAS
71013-43-9- Standard SMILES
COC(=O)c1c(OC)cc2c(c1C)C(=O)c1c(OC)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c(OC)c1C2=O- InChIKey
RVDBGCJUPZBQQQ-JLDVBWROSA-N- Molecular formula
- C27H30O13
- Average molar mass
- 562.5 g/mol
- Monoisotopic mass
- 562.16864101
Names & identifiers
- Preferred name
- Methyl tetra-O-methylcarminate
- IUPAC
- methyl 3,5,6,8-tetramethoxy-1-methyl-9,10-dioxo-7-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]anthracene-2-carboxylate
Names & synonyms
Methyl tetra-O-methylcarminate4W85M5L9KI71013-43-9UNII-4W85M5L9KIDTXSID10991314METHYL TETRA-O-METHYLCARMINATE [MI]Q272605893,5,6,8-TETRA-O-METHYLCARMINIC ACID METHYL ESTER(1S)-1,5-Anhydro-1-[1,3,4,6-tetramethoxy-7-(methoxycarbonyl)-8-methyl-9,10-dioxo-9,10-dihydroanthracen-2-yl]-D-glucitol1,5-Anhydro-1-[1,3,4,6-tetramethoxy-7-(methoxycarbonyl)-8-methyl-9,10-dioxo-9,10-dihydroanthracen-2-yl]hexitol2-ANTHRACENECARBOXYLIC ACID, 7-.BETA.-D-GLUCOPYRANOSYL-9,10-DIHYDRO-3,5,6,8-TETRAMETHOXY-1-METHYL-9,10-DIOXO-, METHYL ESTER2-Anthracenecarboxylic acid, 7-beta-D-glucopyranosyl-9,10-dihydro-3,5,6,8-tetramethoxy-1-methyl-9,10-dioxo-, methyl ester
Database identifiers
- CAS
71013-43-9- PubChem CID
- 135487
- DTXSID
DTXSID10991314- UNII
- 4W85M5L9KI
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 188 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 8
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 943
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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