Stipitatic acid
Grundinformationen
- CAS
4440-39-5- Standard-SMILES
O=C(O)c1cc(O)c(O)cc(=O)c1- InChIKey
ANEBWDNUQVPSJT-UHFFFAOYSA-N- Summenformel
- C8H6O5
- Durchschnittliche Molmasse
- 182,13 g/mol
- Monoisotopische Masse
- 182,02152329
Überblick
Stipitatic acid is a derivative of cyclohepta-1,3,5-triene having a carboxy group at position 1, an oxo group at position 5 and hydroxy groups at positions 3 and 6. It is a conjugate acid of a stipitatate(2-) and a stipitatate(1-). It derives from a hydride of a cyclohepta-1,3,5-triene.
Namen und Bezeichner
- Bevorzugter Name
- Stipitatic acid
- IUPAC
- 5,6-dihydroxy-3-oxocyclohepta-1,4,6-triene-1-carboxylic acid
- Englischer Name
- 3,6-Dihydroxy-5-oxo-1,3,6-cycloheptatriene-1-carboxylic acid
- Summenformel
- C8H6O5
- Molmasse
- 182.13
Namen und Synonyme
Stipitatic acid4440-39-53,6-Dihydroxy-5-oxo-1,3,6-cycloheptatriene-1-carboxylic acid3,6-dihydroxy-5-oxocyclohepta-1,3,6-triene-1-carboxylic acidStipitatate35DNB4NP545,6-dihydroxy-3-oxocyclohepta-1,4,6-triene-1-carboxylic acid1,3,6-CYCLOHEPTATRIENE-1-CARBOXYLIC ACID, 3,6-DIHYDROXY-5-OXO-BRN 2723909UNII-35DNB4NP544-10-00-03859 (Beilstein Handbook Reference)SCHEMBL21100915
Weitere Namen anzeigen
SCHEMBL30368834CHEBI:15957DTXSID80891817ZGKNMKBZOSTFCB-UHFFFAOYSA-N4,6-DIHYDROXY-3-OXOCYCLOHEPTA-1,4,6-TRIENE-1-CARBOXYLIC ACIDEX-A16400NS00094889C01853
Datenbank-Bezeichner
- CAS
4440-39-5- PubChem CID
- 20501
- DTXSID
DTXSID80891817- ChEBI
CHEBI:15957- UNII
- 35DNB4NP54
- Nikkaji
- J3.533.325H、J3.723.672A、J57.868A
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -0,4
- Polarare Oberfläche (TPSA)
- 94,8 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 359
Chemie und Industrie
Anbieter2 Anbieter
桂林艾使普林生物科技有限公司15920419256 · [email protected]
上海超岚化工科技中心（原上海巢莱）0-2022843681 15618226720 · [email protected]
Ergänzende Hinweise
DefinitionChEBI: A derivative of cyclohepta-1,3,5-triene having a carboxy group at position 1, an oxo group at position 5 and hydroxy groups at positions 3 and 6.
Zugehörige Reaktionen
2
Notizen zur Verbindung
Wird geladen…