C38H37N3O8 Nog nie toegewys nie
| Sleutel Fisiese Eienskappe | Waarde | Toestand |
| Molekulêre gewig | 663,72 | - |
| Digtheid (voorspel) | 1,304±0,06 g/cm3 | Temp: 20 °C; Druk: 760 Torr |
| pKa (Voorspel) | 8,27±0,10 | Mees suur Temp: 25 °C |
Kanoniese SMILES O=C1NC(=O)N(C=C1C(=O)NCC=2C=CC=CC2)C3OC(COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5 )C6=CC=C(OC)C=C6)C(O)C3
Isomeriese GLIMLAGE
C(OC[C@H]1O[C@H](C[C@@H]1O)N2C=C(C(NCC3=CC=CC=C3)=O)C(=O)NC2=O) (C4=CC=C(OC)C=C4)(C5=CC=C(OC)C=C5)C6=CC=CC=C 6
InChI
InChI=1S/C38H37N3O8/c1-46-29-17-13-27(14-18-29)38(26-11-7-4-8-12-26,28-15-19-30(47- 2)20-16-28)48-24-33-32(42)21-34(49-33)4 1-23-31(36(44)40-37(41)45)35(43)39 -22-25-9-5-3-6-10-25/h3-20,23,32-34,42H,21-22,24H2,1-2H3,(H,39,43)(H,40 ,44,45)/t32-
,33+,34+/m0/s1
InChI-sleutel
NZBGRVLZISPURB-LBFZIJHGSA-N
| Eiendomme beskikbaar |
| Biologiese |
| Eiendomme beskikbaar |
| Chemiese |
| Digtheid |
| Lipinski |
| Struktuurverwant |
Biologiese
| Eiendom | Waarde | Toestand | Bron |
| Biokonsentrasiefaktor | 5250 | pH 1; Temp: 25 °C | (1) ACD |
| Biokonsentrasiefaktor | 5250 | pH 2; Temp: 25 °C | (1) ACD |
| Biokonsentrasiefaktor | 5260 | pH 3; Temp: 25 °C | (1) ACD |
| Biokonsentrasiefaktor | 5260 | pH 4; Temp: 25 °C | (1) ACD |
| Biokonsentrasiefaktor | 5250 | pH 5; Temp: 25 °C | (1) ACD |
| Biokonsentrasiefaktor | 5200 | pH 6; Temp: 25 °C | (1) ACD |
| Biokonsentrasiefaktor | 4720 | pH 7; Temp: 25 °C | (1) ACD |
| Biokonsentrasiefaktor | 2460 | pH 8; Temp: 25 °C | (1) ACD |
| Biokonsentrasiefaktor | 466 | pH 9; Temp: 25 °C | (1) ACD |
| Biokonsentrasiefaktor | 96,9 | pH 10; Temp: 25 °C | (1) ACD |
(1) Bereken deur gebruik te maak van Advanced Chemistry Development (ACD/Labs) Sagteware V11.02 (© 1994-2023 ACD/Labs)
Chemiese
| Eiendom | Waarde | Toestand | Bron |
| Koc | 16 000 | pH 1; Temp: 25 °C | (1) ACD |
| Koc | 16 000 | pH 2; Temp: 25 °C | (1) ACD |
| Koc | 16 000 | pH 3; Temp: 25 °C | (1) ACD |
| Koc | 16 000 | pH 4; Temp: 25 °C | (1) ACD |
| Koc | 16 000 | pH 5; Temp: 25 °C | (1) ACD |
| Koc | 15800 | pH 6; Temp: 25 °C | (1) ACD |
| Koc | 14400 | pH 7; Temp: 25 °C | (1) ACD |
| Koc | 7510 | pH 8; Temp: 25 °C | (1) ACD |
| Koc | 1420 | pH 9; Temp: 25 °C | (1) ACD |
| Koc | 296 | pH 10; Temp: 25 °C | (1) ACD |
| logD | 5.20 | pH 1; Temp: 25 °C | (1) ACD |
| logD | 5.20 | pH 2; Temp: 25 °C | (1) ACD |
| logD | 5.20 | pH 3; Temp: 25 °C | (1) ACD |
| Eiendom | Waarde | Toestand | Bron |
| logD | 5.20 | pH 4; Temp: 25 °C | (1) ACD |
| logD | 5.20 | pH 5; Temp: 25 °C | (1) ACD |
| logD | 5.19 | pH 6; Temp: 25 °C | (1) ACD |
| logD | 5.15 | pH 7; Temp: 25 °C | (1) ACD |
| logD | 4,87 | pH 8; Temp: 25 °C | (1) ACD |
| logD | 4.15 | pH 9; Temp: 25 °C | (1) ACD |
| logD | 3,46 | pH 10; Temp: 25 °C | (1) ACD |
| logP | 5,198±0,644 | Temp: 25 °C | (1) ACD |
| Massa Intrinsieke Oplosbaarheid | 9,3 x 10-6 g/L | Temp: 25 °C | (1) ACD |
| Massa Oplosbaarheid | 9,3 x 10-6 g/L | pH 1; Temp: 25 °C | (1) ACD |
| Massa Oplosbaarheid | 9,3 x 10-6 g/L | pH 2; Temp: 25 °C | (1) ACD |
| Massa Oplosbaarheid | 9,3 x 10-6 g/L | pH 3; Temp: 25 °C | (1) ACD |
| Massa Oplosbaarheid | 9,3 x 10-6 g/L | pH 4; Temp: 25 °C | (1) ACD |
| Massa Oplosbaarheid | 9,3 x 10-6 g/L | pH 5; Temp: 25 °C | (1) ACD |
| Massa Oplosbaarheid | 9,3 x 10-6 g/L | pH 6; Temp: 25 °C | (1) ACD |
| Massa Oplosbaarheid | 1,1 x 10-5 g/L | pH 7; Temp: 25 °C | (1) ACD |
| Massa Oplosbaarheid | 2,0 x 10-5 g/L | pH 8; Temp: 25 °C | (1) ACD |
| Massa Oplosbaarheid | 1,1 x 10-4 g/L | pH 9; Temp: 25 °C | (1) ACD |
| Massa Oplosbaarheid | 5,1 x 10-4 g/L | pH 10; Temp: 25 °C | (1) ACD |
| Massa Oplosbaarheid | 1,1 x 10-5 g/L | Ongebufferde water pH 7.00; Temp: 25 °C | (1) ACD |
| Molêre Intrinsieke Oplosbaarheid | 1,4 x 10-8 mol/L | Temp: 25 °C | (1) ACD |
| Molêre Oplosbaarheid | 1,4 x 10-8 mol/L | pH 1; Temp: 25 °C | (1) ACD |
| Molêre Oplosbaarheid | 1,4 x 10-8 mol/L | pH 2; Temp: 25 °C | (1) ACD |
| Molêre Oplosbaarheid | 1,4 x 10-8 mol/L | pH 3; Temp: 25 °C | (1) ACD |
| Molêre Oplosbaarheid | 1,4 x 10-8 mol/L | pH 4; Temp: 25 °C | (1) ACD |
| Molêre Oplosbaarheid | 1,4 x 10-8 mol/L | pH 5; Temp: 25 °C | (1) ACD |
| Molêre Oplosbaarheid | 1,4 x 10-8 mol/L | pH 6; Temp: 25 °C | (1) ACD |
| Molêre Oplosbaarheid | 1,6 x 10-8 mol/L | pH 7; Temp: 25 °C | (1) ACD |
| Molêre Oplosbaarheid | 3,0 x 10-8 mol/L | pH 8; Temp: 25 °C | (1) ACD |
| Molêre Oplosbaarheid | 1,6 x 10-7 mol/L | pH 9; Temp: 25 °C | (1) ACD |
| Molêre Oplosbaarheid | 7,7 x 10-7 mol/L | pH 10; Temp: 25 °C | (1) ACD |
| Molêre Oplosbaarheid | 1,6 x 10-8 mol/L | Ongebufferde water pH 7.00; Temp: 25 °C | (1) ACD |
| Eiendom | Waarde | Toestand | Bron |
| Molekulêre gewig | 663,72 | ||
| pKa | 8,27±0,10 | Mees suur Temp: 25 °C | (1) ACD |
| pKa | -1,66±0,20 | Mees Basiese Temp: 25 °C | (1) ACD |
(1) Bereken deur gebruik te maak van Advanced Chemistry Development (ACD/Labs) Sagteware V11.02 (© 1994-2023 ACD/Labs)
Digtheid
| Eiendom | Waarde | Toestand | Bron |
| Digtheid | 1,304±0,06 g/cm3 | Temp: 20 °C; Druk: 760 Torr | (1) ACD |
| Molêre volume | 508,6±3,0 cm3/mol | Temp: 20 °C; Druk: 760 Torr | (1) ACD |
(1) Bereken deur gebruik te maak van Advanced Chemistry Development (ACD/Labs) Sagteware V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Eiendom | Waarde | Toestand | Bron |
| Vrylik draaibare verbande | 13 | (1) ACD | |
| H Aanvaarders | 11 | (1) ACD | |
| H Skenkers | 3 | (1) ACD | |
| H Skenker/Aanvaarder Som | 14 | (1) ACD | |
| logP | 5,198±0,644 | Temp: 25 °C | (1) ACD |
| Molekulêre gewig | 663,72 |
(1) Bereken deur gebruik te maak van Advanced Chemistry Development (ACD/Labs) Sagteware V11.02 (© 1994-2023 ACD/Labs)
Struktuurverwant
| Eiendom | Waarde | Toestand | Bron |
| Polêre Oppervlakte | 136 A2 | (1) ACD | |
(1) Bereken deur gebruik te maak van Advanced Chemistry Development (ACD/Labs) Sagteware V11.02 (© 1994-2023 ACD/Labs)
Spektra beskikbaar
1H KMR
13C KMR
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