C42H39N3O8 Noch net tawiisd

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Produkt Detail

Produkt Tags

Fysike eigenskippen

Key Physical Properties	Wearde	Betingst
Molekulêr gewicht	713.78	-
Tichtheid (foarsein)	1,315±0,06 g/cm3	Temp: 20 °C; Druk: 760 Torr
pKa (foarsein)	8,23±0,10	Meast soere Temp: 25 °C

Oare nammen en identifiers

Canonical SMILES O=C1NC(=O)N(C=C1C(=O)NCC2=CC=CC=3C=CC=CC32)C4OC(COC(C=5C=CC=CC5)(C6=CC=C(OC) )C=C6)C7=CC=C(OC)C=C7)C(O)C4
Isomere SMILES
C(OC[C@H]1O[C@H](C[C@@H]1O)N2C=C(C(NCC=3C4=C(C=CC3)C=CC=C4)=O)C (=O)NC2=O)(C5=CC=C(OC)C=C5)(C6=CC=C(OC)C=C6)C 7=CC=CC=C7
InChI
InChI=1S/C42H39N3O8/c1-50-32-19-15-30(16-20-32)42(29-12-4-3-5-13-29,31-17-21-33(51- 2)22-18-31)52-26-37-36(46)23-38(53-37)4 5-25-35(40(48)44-41(45)49)39(47)43 -24-28-11-8-10-27-9-6-7-14-34(27)28/h3-22,25,36-38,46H,23-24,26H2,1-2H3,( H,43,47) (H,44,48,49)/t36-,37+,38+/m0/s1
InChI Key
HDUMRQQRYJOBFS-YXWIYCFASA-N

Foarsein Eigenskippen

Eigenskippen beskikber

Biologysk

Eigenskippen beskikber

Gemysk

Tichtheid

Lipinski

Struktuer Related

Biologysk

Besit	Wearde	Betingst	Boarne
Biokonsintraasjefaktor	41700	pH 1; Temp: 25 °C	(1) ACD
Biokonsintraasjefaktor	41700	pH 2; Temp: 25 °C	(1) ACD
Biokonsintraasjefaktor	41700	pH 3; Temp: 25 °C	(1) ACD
Biokonsintraasjefaktor	41700	pH 4; Temp: 25 °C	(1) ACD
Biokonsintraasjefaktor	41700	pH 5; Temp: 25 °C	(1) ACD
Biokonsintraasjefaktor	41200	pH 6; Temp: 25 °C	(1) ACD
Biokonsintraasjefaktor	36900	pH 7; Temp: 25 °C	(1) ACD
Biokonsintraasjefaktor	18100	pH 8; Temp: 25 °C	(1) ACD
Biokonsintraasjefaktor	3290	pH 9; Temp: 25 °C	(1) ACD
Biokonsintraasjefaktor	718	pH 10; Temp: 25 °C	(1) ACD

Gemysk

Besit	Wearde	Betingst	Boarne
Koc	70600	pH 1; Temp: 25 °C	(1) ACD
Koc	70600	pH 2; Temp: 25 °C	(1) ACD
Koc	70600	pH 3; Temp: 25 °C	(1) ACD
Koc	70600	pH 4; Temp: 25 °C	(1) ACD
Koc	70500	pH 5; Temp: 25 °C	(1) ACD
Koc	69700	pH 6; Temp: 25 °C	(1) ACD
Koc	62400	pH 7; Temp: 25 °C	(1) ACD
Koc	30600	pH 8; Temp: 25 °C	(1) ACD
Koc	5560	pH 9; Temp: 25 °C	(1) ACD
Koc	1210	pH 10; Temp: 25 °C	(1) ACD
logD	6.38	pH 1; Temp: 25 °C	(1) ACD
logD	6.38	pH 2; Temp: 25 °C	(1) ACD
logD	6.38	pH 3; Temp: 25 °C	(1) ACD

Besit	Wearde	Betingst	Boarne
logD	6.38	pH 4; Temp: 25 °C	(1) ACD
logD	6.38	pH 5; Temp: 25 °C	(1) ACD
logD	6.38	pH 6; Temp: 25 °C	(1) ACD
logD	6.33	pH 7; Temp: 25 °C	(1) ACD
logD	6.02	pH 8; Temp: 25 °C	(1) ACD
logD	5.28	pH 9; Temp: 25 °C	(1) ACD
logD	4.62	pH 10; Temp: 25 °C	(1) ACD
logP	6.382±0.644	Temp: 25 °C	(1) ACD
Mass Intrinsic Solubility	5,1 x 10-7 g/L	Temp: 25 °C	(1) ACD
Massasolubiliteit	5,1 x 10-7 g/L	pH 1; Temp: 25 °C	(1) ACD
Massasolubiliteit	5,1 x 10-7 g/L	pH 2; Temp: 25 °C	(1) ACD
Massasolubiliteit	5,1 x 10-7 g/L	pH 3; Temp: 25 °C	(1) ACD
Massasolubiliteit	5,1 x 10-7 g/L	pH 4; Temp: 25 °C	(1) ACD
Massasolubiliteit	5,1 x 10-7 g/L	pH 5; Temp: 25 °C	(1) ACD
Massasolubiliteit	5,1 x 10-7 g/L	pH 6; Temp: 25 °C	(1) ACD
Massasolubiliteit	5,7 x 10-7 g/L	pH 7; Temp: 25 °C	(1) ACD
Massasolubiliteit	1,1 x 10-6 g/L	pH 8; Temp: 25 °C	(1) ACD
Massasolubiliteit	6,4 x 10-6 g/L	pH 9; Temp: 25 °C	(1) ACD
Massasolubiliteit	2,9 x 10-5 g/L	pH 10; Temp: 25 °C	(1) ACD
Massasolubiliteit	5,7 x 10-7 g/L	Unbuffered wetter pH 7,00; Temp: 25 °C	(1) ACD
Molêre yntrinsike oplosberens	7,1 x 10-10 mol/L	Temp: 25 °C	(1) ACD
Molêre oplosberens	7,1 x 10-10 mol/L	pH 1; Temp: 25 °C	(1) ACD
Molêre oplosberens	7,1 x 10-10 mol/L	pH 2; Temp: 25 °C	(1) ACD
Molêre oplosberens	7,1 x 10-10 mol/L	pH 3; Temp: 25 °C	(1) ACD
Molêre oplosberens	7,1 x 10-10 mol/L	pH 4; Temp: 25 °C	(1) ACD
Molêre oplosberens	7,1 x 10-10 mol/L	pH 5; Temp: 25 °C	(1) ACD
Molêre oplosberens	7,2 x 10-10 mol/L	pH 6; Temp: 25 °C	(1) ACD
Molêre oplosberens	8,0 x 10-10 mol/L	pH 7; Temp: 25 °C	(1) ACD
Molêre oplosberens	1,6 x 10-9 mol/L	pH 8; Temp: 25 °C	(1) ACD
Molêre oplosberens	9,0 x 10-9 mol/L	pH 9; Temp: 25 °C	(1) ACD
Molêre oplosberens	4,1 x 10-8 mol/L	pH 10; Temp: 25 °C	(1) ACD
Molêre oplosberens	8,0 x 10-10 mol/L	Unbuffered wetter pH 7,00; Temp: 25 °C	(1) ACD

Besit	Wearde	Betingst	Boarne
Molekulêr gewicht	713.78
pKa	8,23±0,10	Meast soere Temp: 25 °C	(1) ACD
pKa	-1,90±0,20	Meast Basic Temp: 25 °C	(1) ACD

Tichtheid

Besit	Wearde	Betingst	Boarne
Tichtheid	1,315±0,06 g/cm3	Temp: 20 °C; Druk: 760 Torr	(1) ACD
Molar Volume	542,7±3,0 cm3/mol	Temp: 20 °C; Druk: 760 Torr	(1) ACD

Lipinski

Besit	Wearde	Betingst	Boarne
Frij draaibare obligaasjes	13		(1) ACD
H Aksepteurs	11		(1) ACD
H Donateurs	3		(1) ACD
H Donor / Akseptor Sum	14		(1) ACD
logP	6.382±0.644	Temp: 25 °C	(1) ACD
Molekulêr gewicht	713.78