9,10-Dihydro-1,5-dihydroxy-4,8-dinitro-9,10-dioxoanthracen-2,6-disulfonsure

2,6-Anthracenedisulfonic acid, 9,10-dihydro-1,5-dihydroxy-4,8-dinitro-9,10-dioxo-

HCID 3761329CAS 6449-09-8

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Grundinformationen

Standard-SMILES: O=C1c2c([N+](=O)[O-])cc(S(=O)(=O)O)c(O)c2C(=O)c2c([N+](=O)[O-])cc(S(=O)(=O)O)c(O)c21
InChIKey: OPZUWDAYFQMSMY-UHFFFAOYSA-N
Summenformel: C14H6N2O14S2
Durchschnittliche Molmasse: 490,3 g/mol
Monoisotopische Masse: 489,92604487

Namen und Bezeichner

Bevorzugter Name: 2,6-Anthracenedisulfonic acid, 9,10-dihydro-1,5-dihydroxy-4,8-dinitro-9,10-dioxo-
IUPAC: 1,5-dihydroxy-4,8-dinitro-9,10-dioxoanthracene-2,6-disulfonic acid
Lokaler Name: 9,10-Dihydro-1,5-dihydroxy-4,8-dinitro-9,10-dioxoanthracen-2,6-disulfonsure
Englischer Name: 1,5-dihydroxy-4,8-dinitro-9,10-dioxo-9,10-dihydroanthracene-2,6-disulfonic acid
Summenformel: C14H6N2O14S2
Molmasse: 490.33

Namen und Synonyme

6449-09-82,6-Anthracenedisulfonic acid, 9,10-dihydro-1,5-dihydroxy-4,8-dinitro-9,10-dioxo-DTXSID7064366EINECS 229-249-5RefChem:445172DTXCID90443221,5-dihydroxy-4,8-dinitro-9,10-dioxoanthracene-2,6-disulfonic acidNSC399222YA8FE3YFR1,5-DIHYDROXY-4,8-DINITRO-9,10-DIOXO-9,10-DIHYDROANTHRACENE-2,6-DISULFONIC ACIDSCHEMBL112453419,10-Dihydro-1,5-dihydroxy-4,8-dinitro-9,10-dioxo-2,6-anthracenedisulfonic acid

Weitere Namen anzeigen

1,5-dinitro-4,8-dihydroxy-anthraquinone-3,7-disulphonic acid

NS000821621,5-Dihydroxy-2,6-disulfo-4,8-dinitroanthraquinone1,5-Dihydroxy-4,8-dinitroanthrachinon-2,6-disulfonsaure1,5-dihydroxy-4,8-dinitro-anthraquinone-2,6-disulphonic acid1,5-dihydroxy-4,8-dinitro-9,10-dioxo-anthracene-2,6-disulfonic acid2,6-Anthracenedisulfonic acid, 9,10-dihydro-1,5-dihydroxy-4, 8-dinitro-9,10-dioxo-9,10-Dihydro-1,5-dihydroxy-4,8-dinitro-9,10-dioxoanthracene-2,6-disulphonic acid1,5-Dihydroxy-4,8-bis(hydroxy(oxido)amino)-9,10-dioxo-9,10-dihydro-2,6-anthracenedisulfonic acid

Datenbank-Bezeichner

CAS: 6449-09-8
PubChem CID: 3761329
DTXSID: DTXSID7064366
UNII: 2YA8FE3YFR
EC Number: 229-249-5
Nikkaji: J53.433A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,4
Polarare Oberfläche (TPSA): 292 Å²
H-Brücken-Donoren: 4
H-Brücken-Akzeptoren: 14
Frei drehbare Bindungen: 2
Schwere Atome: 32
Formalladung: 0
Komplexität: 979

Physikochemische Eigenschaften

Dichte: 2.177 · 2.177±0.06 g/cm3(Predicted)
pka: -2 · -2+-.0.20(Predicted)
EPA chemische Informationen: 2 · 2,6-Anthracenedisulfonic acid, 9,10-dihydro-1,5-dihydroxy-4,8-dinitro-9,10-dioxo- (6449-09-8)