C42H39N3O8 Hindi Pa Nakatalaga

Pangunahing Impormasyon:

Detalye ng Produkto

Mga Tag ng Produkto

Mga katangiang pisikal

Pangunahing Pisikal na Katangian	Halaga	Kundisyon
Molekular na Timbang	713.78	-
Densidad (Hula)	1.315±0.06 g/cm3	Temp: 20 °C; Pindutin ang: 760 Torr
pKa (Hula)	8.23±0.10	Pinakamaasim na Temp: 25 °C

Iba pang Pangalan at Identifier

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
Isomeric 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=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,23-21,26H,23-24,26H (H,44,48,49)/t36-,37+,38+/m0/s1
Susi ng InChI
HDUMRQQRYJOBFS-YXWIYCFASA-N

Mga Hinulaang Katangian

Available ang mga property

Biyolohikal

Available ang mga property

Kemikal

Densidad

Lipinski

Kaugnay na Istruktura

Biyolohikal

Ari-arian	Halaga	Kundisyon	Pinagmulan
Salik ng Bioconcentration	41700	pH 1; Temp: 25 °C	(1) ACD
Salik ng Bioconcentration	41700	pH 2; Temp: 25 °C	(1) ACD
Salik ng Bioconcentration	41700	pH 3; Temp: 25 °C	(1) ACD
Salik ng Bioconcentration	41700	pH 4; Temp: 25 °C	(1) ACD
Salik ng Bioconcentration	41700	pH 5; Temp: 25 °C	(1) ACD
Salik ng Bioconcentration	41200	pH 6; Temp: 25 °C	(1) ACD
Salik ng Bioconcentration	36900	pH 7; Temp: 25 °C	(1) ACD
Salik ng Bioconcentration	18100	pH 8; Temp: 25 °C	(1) ACD
Salik ng Bioconcentration	3290	pH 9; Temp: 25 °C	(1) ACD
Salik ng Bioconcentration	718	pH 10; Temp: 25 °C	(1) ACD

Kemikal

Ari-arian	Halaga	Kundisyon	Pinagmulan
Sinabi ni Koc	70600	pH 1; Temp: 25 °C	(1) ACD
Sinabi ni Koc	70600	pH 2; Temp: 25 °C	(1) ACD
Sinabi ni Koc	70600	pH 3; Temp: 25 °C	(1) ACD
Sinabi ni Koc	70600	pH 4; Temp: 25 °C	(1) ACD
Sinabi ni Koc	70500	pH 5; Temp: 25 °C	(1) ACD
Sinabi ni Koc	69700	pH 6; Temp: 25 °C	(1) ACD
Sinabi ni Koc	62400	pH 7; Temp: 25 °C	(1) ACD
Sinabi ni Koc	30600	pH 8; Temp: 25 °C	(1) ACD
Sinabi ni Koc	5560	pH 9; Temp: 25 °C	(1) ACD
Sinabi ni Koc	1210	pH 10; Temp: 25 °C	(1) ACD
talaD	6.38	pH 1; Temp: 25 °C	(1) ACD
talaD	6.38	pH 2; Temp: 25 °C	(1) ACD
talaD	6.38	pH 3; Temp: 25 °C	(1) ACD

Ari-arian	Halaga	Kundisyon	Pinagmulan
talaD	6.38	pH 4; Temp: 25 °C	(1) ACD
talaD	6.38	pH 5; Temp: 25 °C	(1) ACD
talaD	6.38	pH 6; Temp: 25 °C	(1) ACD
talaD	6.33	pH 7; Temp: 25 °C	(1) ACD
talaD	6.02	pH 8; Temp: 25 °C	(1) ACD
talaD	5.28	pH 9; Temp: 25 °C	(1) ACD
talaD	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
Mass Solubility	5.1 x 10-7 g/L	pH 1; Temp: 25 °C	(1) ACD
Mass Solubility	5.1 x 10-7 g/L	pH 2; Temp: 25 °C	(1) ACD
Mass Solubility	5.1 x 10-7 g/L	pH 3; Temp: 25 °C	(1) ACD
Mass Solubility	5.1 x 10-7 g/L	pH 4; Temp: 25 °C	(1) ACD
Mass Solubility	5.1 x 10-7 g/L	pH 5; Temp: 25 °C	(1) ACD
Mass Solubility	5.1 x 10-7 g/L	pH 6; Temp: 25 °C	(1) ACD
Mass Solubility	5.7 x 10-7 g/L	pH 7; Temp: 25 °C	(1) ACD
Mass Solubility	1.1 x 10-6 g/L	pH 8; Temp: 25 °C	(1) ACD
Mass Solubility	6.4 x 10-6 g/L	pH 9; Temp: 25 °C	(1) ACD
Mass Solubility	2.9 x 10-5 g/L	pH 10; Temp: 25 °C	(1) ACD
Mass Solubility	5.7 x 10-7 g/L	Unbuffered Water pH 7.00; Temp: 25 °C	(1) ACD
Molar Intrinsic Solubility	7.1 x 10-10 mol/L	Temp: 25 °C	(1) ACD
Molar Solubility	7.1 x 10-10 mol/L	pH 1; Temp: 25 °C	(1) ACD
Molar Solubility	7.1 x 10-10 mol/L	pH 2; Temp: 25 °C	(1) ACD
Molar Solubility	7.1 x 10-10 mol/L	pH 3; Temp: 25 °C	(1) ACD
Molar Solubility	7.1 x 10-10 mol/L	pH 4; Temp: 25 °C	(1) ACD
Molar Solubility	7.1 x 10-10 mol/L	pH 5; Temp: 25 °C	(1) ACD
Molar Solubility	7.2 x 10-10 mol/L	pH 6; Temp: 25 °C	(1) ACD
Molar Solubility	8.0 x 10-10 mol/L	pH 7; Temp: 25 °C	(1) ACD
Molar Solubility	1.6 x 10-9 mol/L	pH 8; Temp: 25 °C	(1) ACD
Molar Solubility	9.0 x 10-9 mol/L	pH 9; Temp: 25 °C	(1) ACD
Molar Solubility	4.1 x 10-8 mol/L	pH 10; Temp: 25 °C	(1) ACD
Molar Solubility	8.0 x 10-10 mol/L	Unbuffered Water pH 7.00; Temp: 25 °C	(1) ACD

Ari-arian	Halaga	Kundisyon	Pinagmulan
Molekular na Timbang	713.78
pKa	8.23±0.10	Pinakamaasim na Temp: 25 °C	(1) ACD
pKa	-1.90±0.20	Karamihan sa Pangunahing Temp: 25 °C	(1) ACD

Densidad

Ari-arian	Halaga	Kundisyon	Pinagmulan
Densidad	1.315±0.06 g/cm3	Temp: 20 °C; Pindutin ang: 760 Torr	(1) ACD
Dami ng Molar	542.7±3.0 cm3/mol	Temp: 20 °C; Pindutin ang: 760 Torr	(1) ACD

Lipinski

Ari-arian	Halaga	Kundisyon	Pinagmulan
Mga Malayang Naiikot na Bono	13		(1) ACD
H Mga Tatanggap	11		(1) ACD
H Mga Donor	3		(1) ACD
H Donor/Acceptor Sum	14		(1) ACD
logP	6.382±0.644	Temp: 25 °C	(1) ACD
Molekular na Timbang	713.78