![C38H49NO7 1- pýrrólidíndódekanósýru, 2- [[bis (4-metoxýfenýl) fenýlm etoxý] metýl] -4-hýdroxý-λ-oxó-, (2s, 4R)-(ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C38H49NO7 1- pýrróólídídódekansýra, 2- [[bis (4-metoxýfenýl) fenýlm etoxý] metýl] -4-hýdroxý-λ-oxó-, (2s, 4R)-(ACI) lögun mynd.](https://cdn.globalso.com/nvchem/C38H49NO7-1-Pyrrolidinedodecanoic-acid.jpg)
C38H49NO7 1- pýrrólidíndódekanósýru, 2- [[bis (4-metoxýfenýl) fenýlm etoxý] metýl] -4-hýdroxý-λ-oxó-, (2s, 4R)-(ACI)
| Lykilatriði eðlisfræðilegra eiginleika | Gildi | Ástand |
| Mólmassa | 631.80 | - |
| Suðumark (spáð) | 779,4 ± 60,0 ° C. | Press: 760 Torr |
| Þéttleiki (spáð) | 1,154 ± 0,06 g/cm3 | Temp: 20 ° C; Press: 760 Torr |
| PKA (spáð) | 4,78 ± 0,10 | Sýrtasta temp: 25 ° C |
Canonical bros O = C (O) CCCCCCCCCCC (= O) N1CC (O) CC1COC (C = 2C = CC = CC2) (C3 = CC = C (OC) C = C3) C4 = CC = C (OC) C = C4
Isomeric bros C (OC [C@H] 1N (C (CCCCCCCCCCC (O) = O) = O) C [C@H] (O) C1) (C2 = CC = C (OC) C = C2) (C3 = CC = C (OC) C = C3) C4 = CC = CC = C4
Tommur
Inchi = 1s/C38H49NO7/C1-44-34-22-18-30 (19-23-34) 38 (29-14-10-9-11-15-29,31-20-24-35 (45-2) 25-21-31) 46-28-32-26-33 (40) 27-39 (32) 36 (41) 16-12-7-5-3-4-6-8-13-17-37 (42) 43/H9-11,14-15,18-25,32-33,40H, 3-8,12-13,16-17,26-28H2,1-2H3, (H, 42,43)/T32-, 33+/m0/S1
Inchi lykill
Ceyltmdxadtbel-Jhousysjsa-n
1 annað nafn fyrir þetta efni
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| Eignir í boði |
| Líffræðileg |
| Efni |
| Þéttleiki |
| Lipinski |
| Uppbygging tengd |
| Hitauppstreymi |
Líffræðileg
| Eign | Gildi | Ástand | Uppspretta |
| Bioconcentration Factor | 2,46 x 105 | pH 1; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 2,46 x 105 | pH 2; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 2,42 x 105 | Ph 3; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 2.11 x 105 | pH 4; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 92400 | pH 5; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 14000 | pH 6; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 1510 | pH 7; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 192 | pH 8; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 58.6 | pH 9; Temp: 25 ° C. | (1) ACD |
| Bioconcentration Factor | 45.3 | pH 10; Temp: 25 ° C. | (1) ACD |
(1) Reiknuð með Advanced Chemistry Development (ACD/Labs) hugbúnaði V11.02 (© 1994-2023 ACD/Labs)
Efni
| Eign | Gildi | Ástand | Uppspretta |
| KOC | 2,52 x 105 | pH 1; Temp: 25 ° C. | (1) ACD |
| KOC | 2,51 x 105 | pH 2; Temp: 25 ° C. | (1) ACD |
| KOC | 2,47 x 105 | Ph 3; Temp: 25 ° C. | (1) ACD |
| KOC | 2,16 x 105 | pH 4; Temp: 25 ° C. | (1) ACD |
| KOC | 94500 | pH 5; Temp: 25 ° C. | (1) ACD |
| KOC | 14300 | pH 6; Temp: 25 ° C. | (1) ACD |
| KOC | 1550 | pH 7; Temp: 25 ° C. | (1) ACD |
| KOC | 196 | pH 8; Temp: 25 ° C. | (1) ACD |
| KOC | 59.9 | pH 9; Temp: 25 ° C. | (1) ACD |
| KOC | 46.3 | pH 10; Temp: 25 ° C. | (1) ACD |
| logd | 7.40 | pH 1; Temp: 25 ° C. | (1) ACD |
| Eign | Gildi | Ástand | Uppspretta |
| logd | 7.40 | pH 2; Temp: 25 ° C. | (1) ACD |
| logd | 7.39 | Ph 3; Temp: 25 ° C. | (1) ACD |
| logd | 7.33 | pH 4; Temp: 25 ° C. | (1) ACD |
| logd | 6.97 | pH 5; Temp: 25 ° C. | (1) ACD |
| logd | 6.15 | pH 6; Temp: 25 ° C. | (1) ACD |
| logd | 5.19 | pH 7; Temp: 25 ° C. | (1) ACD |
| logd | 4.29 | pH 8; Temp: 25 ° C. | (1) ACD |
| logd | 3.77 | pH 9; Temp: 25 ° C. | (1) ACD |
| logd | 3.66 | pH 10; Temp: 25 ° C. | (1) ACD |
| logp | 7.397 ± 0.598 | Temp: 25 ° C. | (1) ACD |
| Massa eðlislægni | 1,3 x 10-4 g/l | Temp: 25 ° C. | (1) ACD |
| Massa leysni | 1,3 x 10-4 g/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 1,3 x 10-4 g/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 1,3 x 10-4 g/l | Ph 3; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 1,5 x 10-4 g/l | pH 4; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 3,5 x 10-4 g/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 2,3 x 10-3 g/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 0,021 g/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 0,17 g/l | pH 8; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 0,55 g/l | pH 9; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 0,69 g/l | pH 10; Temp: 25 ° C. | (1) ACD |
| Massa leysni | 1,3 x 10-3 g/l | Óbifað vatn pH 5,73; Temp: 25 ° C. | (1) ACD |
| Molar innri leysni | 2,1 x 10-7 mól/l | Temp: 25 ° C. | (1) ACD |
| Molar leysni | 2,1 x 10-7 mól/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 2,1 x 10-7 mól/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 2,1 x 10-7 mól/l | Ph 3; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 2,4 x 10-7 mól/l | pH 4; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 5,5 x 10-7 mól/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 3,6 x 10-6 mól/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 3,4 x 10-5 mól/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 2,7 x 10-4 mól/l | pH 8; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 8,7 x 10-4 mól/l | pH 9; Temp: 25 ° C. | (1) ACD |
| Eign | Gildi | Ástand | Uppspretta |
| Molar leysni | 1,1 x 10-3 mól/l | pH 10; Temp: 25 ° C. | (1) ACD |
| Molar leysni | 2,1 x 10-6 mól/l | Óbifað vatn pH 5,73; Temp: 25 ° C. | (1) ACD |
| Mólmassa | 631.80 | ||
| PKA | 4,78 ± 0,10 | Sýrtasta temp: 25 ° C | (1) ACD |
| PKA | -2,31 ± 0,60 | Grundvöllurinn: 25 ° C | (1) ACD |
| Gufuþrýstingur | 1,42 x 10-25 Torr | Temp: 25 ° C. | (1) ACD |
(1) Reiknuð með Advanced Chemistry Development (ACD/Labs) hugbúnaði V11.02 (© 1994-2023 ACD/Labs)
Þéttleiki
| Eign | Gildi | Ástand | Uppspretta |
| Þéttleiki | 1,154 ± 0,06 g/cm3 | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
| Mólmagn | 547,3 ± 3,0 cm3/mól | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
(1) Reiknuð með Advanced Chemistry Development (ACD/Labs) hugbúnaði V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Eign | Gildi | Ástand | Uppspretta |
| Frjálslega snúningsbönd | 20 | (1) ACD | |
| H samþykki | 8 | (1) ACD | |
| H styrktaraðilar | 2 | (1) ACD | |
| H gjafa/samþykki fjárhæð | 10 | (1) ACD | |
| logp | 7.397 ± 0.598 | Temp: 25 ° C. | (1) ACD |
| Mólmassa | 631.80 |
(1) Reiknuð með Advanced Chemistry Development (ACD/Labs) hugbúnaði V11.02 (© 1994-2023 ACD/Labs)
Uppbygging tengd
| Eign | Gildi | Ástand | Uppspretta |
| Polar yfirborð | 106 A2 | (1) ACD | |
(1) Reiknuð með Advanced Chemistry Development (ACD/Labs) hugbúnaði V11.02 (© 1994-2023 ACD/Labs)
Hitauppstreymi
| Eign | Gildi | Ástand | Uppspretta |
| Suðumark | 779,4 ± 60,0 ° C. | Press: 760 Torr | (1) ACD |
| Enthalpy af gufu | 118,97 ± 3,0 kJ/mól | Press: 760 Torr | (1) ACD |
| Flashpunktur | 425,2 ± 32,9 ° C. | (1) ACD |
(1) Reiknuð með Advanced Chemistry Development (ACD/Labs) hugbúnaði V11.02 (© 1994-2023 ACD/Labs)
Litróf í boði
1H NMR
13c nmr
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