(7S)-7-amino-1,2,3,9-tetramethoxy-6,7-dihydro-5H-benzo[a]heptalen-10-one;(2R,3R)-2,3-dihydroxybutanedioic acid
Basic information
- CAS
38838-25-4- Standard SMILES
COc1cc2c(c(OC)c1OC)-c1ccc(=O)c(OC)cc1[C@@H](N)CC2.O=C(O)[C@H](O)[C@@H](O)C(=O)O- InChIKey
RDCNELQDPRGIMA-APBURCQWSA-N- Molecular formula
- C24H29NO11
- Average molar mass
- 507.5 g/mol
- Monoisotopic mass
- 507.17406074
Names & identifiers
- Preferred name
- (7S)-7-amino-1,2,3,9-tetramethoxy-6,7-dihydro-5H-benzo[a]heptalen-10-one;(2R,3R)-2,3-dihydroxybutanedioic acid
- IUPAC
- (7S)-7-amino-1,2,3,9-tetramethoxy-6,7-dihydro-5H-benzo[a]heptalen-10-one;(2R,3R)-2,3-dihydroxybutanedioic acid
- English name
- Benzo[a]heptalen-10 (5H)-one, 7-amino-6,7-dihydro-1,2,3, 9-tetramethox y-, (S)-, [R-(R*,R*)]-2,3-dihydroxybutanedioate (1:1)
- Molecular formula
- C24H29NO11
- Molecular weight
- 507.48716
Names & synonyms
NSC30204738838-25-4DTXSID60316316NSC-302047(2R,3R)-2,3-Dihydroxybutanedioic acid--(7S)-7-amino-1,2,3,9-tetramethoxy-6,7-dihydrobenzo[a]heptalen-10(5H)-one (1/1)Benzo[a]heptalen-10(5H)-one,7-dihydro-1,2,3,9-tetramethoxy-, (S)-, [R-(R*,R*)]-2,3-dihydroxybutanedioate (1:1)Benzo[a]heptalen-10 (5H)-one, 7-amino-6,7-dihydro-1,2,3, 9-tetramethox y-, (S)-, [R-(R*,R*)]-2,3-dihydroxybutanedioate (1:1)
Database identifiers
- CAS
38838-25-4- PubChem CID
- 327340
- DTXSID
DTXSID60316316
Properties
Computed structural properties
- Topological polar surface area
- 195 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 7
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 772
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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