![C41H39No6 1-PyrolidineCarboxy Acid, 2 - [[KIS (4-Methoxyphenyl) Methyl] -4-Hydroxy-, 9h-FluoRen-9-Ylmethyl Ester, (2S, 4R) - (9 CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C41H39No6 1-Pyrolidinecarbox Acid, 2 - [[THOXYPHENY) Phenylm ethoksy] Methyl] -4-Hydroxy-, 9-YlmethyL Ester - (2 CI, ACI) featured ôfbylding](https://cdn.globalso.com/nvchem/C41H39NO6-1-Pyrrolidinecarboxylic-acid.jpg)
C41H39No6 1-PyrolidineCarboxy Acid, 2 - [[KIS (4-Methoxyphenyl) Methyl] -4-Hydroxy-, 9h-FluoRen-9-Ylmethyl Ester, (2S, 4R) - (9 CI, ACI)
| Kaai fysike eigenskippen | Wearde | Betingst |
| Molekulêr gewicht | 641.75 | - |
| Siedend punt (foarsizze) | 768.7 ± 60,0 ° C | Parse: 760 Torr |
| Tichtheid (foarsizze) | 1.237 ± 0,06 g / cm3 | Temp: 20 ° C; Parse: 760 Torr |
| PKA (foarsizze) | 14,50 ± 0,40 | Meast Acidic Temp: 25 ° C |
Canonical Smiles O = c (Occ1c = 2c = cc = cc = CC = CC = CC = C (OC) c = c = c = c = c = c = c (oc) c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c00
Isomeryske glimket c (oc [c @ h] 1n (c (occ2c = 3c (c = cc = c = c = c = c = c = c (c6) c = c = c = c = c7 = cc = c7
Inchi
Inchi = 1s / c41h39no6 / c1-45-33-20-16-29 (17-20-3-3-2010 (28-10-3-3-5-11-28,30,30-18-22-34 (46-2 jier | 4-19-25-25-31-23-32 (43) 25-43 (31) 40 ( 44) 47-27-39-39-38-14-8-6-35 (37) 36-7-9-38 (36) 39 / h3-23,31-32,39,43h, 24-27h2,1-21 / T31-, 32 + / M0 / S1
Inchi-kaai
Qpxskgjqebdwes-ajqtzopksa-n
2 oare nammen foar dizze substansje
1-Pyrolidinecarbox LEID, 2 - [[KIS (4-methovhOxy] Phenylmethoxy] Methyl] -4-Hydroxy-, 9H-FLEROVE-ESTER, (2s-trans) - (zci); 9h-Fluoren-9-Ylmethyl (2s, 4r) -2 - [[BIS (4-methovyphenyl) Phenylmethoxy] methyl] -4-hydroxy-1-pyrolidinecarate (ACI)
| Eigenskippen beskikber |
| Biologysk |
| Gemysk |
| Densheid |
| Lipinski |
| Struktuer relatearre |
| Thermal |
Biologysk
| Besit | Wearde | Betingst | Boarne |
| Bioconcentration Factor | 1,00 x 106 | pH 1; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1,00 x 106 | pH 2; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1,00 x 106 | pH 3; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1,00 x 106 | pH 4; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1,00 x 106 | pH 5; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1,00 x 106 | pH 6; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1,00 x 106 | pH 7; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1,00 x 106 | pH 8; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1,00 x 106 | pH 9; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1,00 x 106 | pH 10; Temp: 25 ° C | (1) ACD |
(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Gemysk
| Besit | Wearde | Betingst | Boarne |
| Koc | 7,70 x 105 | pH 1; Temp: 25 ° C | (1) ACD |
| Koc | 7,70 x 105 | pH 2; Temp: 25 ° C | (1) ACD |
| Koc | 7,70 x 105 | pH 3; Temp: 25 ° C | (1) ACD |
| Koc | 7,70 x 105 | pH 4; Temp: 25 ° C | (1) ACD |
| Koc | 7,70 x 105 | pH 5; Temp: 25 ° C | (1) ACD |
| Koc | 7,70 x 105 | pH 6; Temp: 25 ° C | (1) ACD |
| Koc | 7,70 x 105 | pH 7; Temp: 25 ° C | (1) ACD |
| Koc | 7,70 x 105 | pH 8; Temp: 25 ° C | (1) ACD |
| Koc | 7,70 x 105 | pH 9; Temp: 25 ° C | (1) ACD |
| Koc | 7,70 x 105 | pH 10; Temp: 25 ° C | (1) ACD |
| Besit | Wearde | Betingst | Boarne |
| Logd | 8.29 | pH 1; Temp: 25 ° C | (1) ACD |
| Logd | 8.29 | pH 2; Temp: 25 ° C | (1) ACD |
| Logd | 8.29 | pH 3; Temp: 25 ° C | (1) ACD |
| Logd | 8.29 | pH 4; Temp: 25 ° C | (1) ACD |
| Logd | 8.29 | pH 5; Temp: 25 ° C | (1) ACD |
| Logd | 8.29 | pH 6; Temp: 25 ° C | (1) ACD |
| Logd | 8.29 | pH 7; Temp: 25 ° C | (1) ACD |
| Logd | 8.29 | pH 8; Temp: 25 ° C | (1) ACD |
| Logd | 8.29 | pH 9; Temp: 25 ° C | (1) ACD |
| Logd | 8.29 | pH 10; Temp: 25 ° C | (1) ACD |
| Logp | 8.289 ± 0.729 | Temp: 25 ° C | (1) ACD |
| Massa intrinsike oplosmiddel | 4,7 x 10-6 g / l | Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 4,7 x 10-6 g / l | pH 1; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 4,7 x 10-6 g / l | pH 2; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 4,7 x 10-6 g / l | pH 3; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 4,7 x 10-6 g / l | pH 4; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 4,7 x 10-6 g / l | pH 5; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 4,7 x 10-6 g / l | pH 6; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 4,7 x 10-6 g / l | pH 7; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 4,7 x 10-6 g / l | pH 8; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 4,7 x 10-6 g / l | pH 9; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 4,7 x 10-6 g / l | pH 10; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 4,7 x 10-6 g / l | Unbuffered wetter Ph 7.00; Temp: 25 ° C | (1) ACD |
| Molêre yntrinsike oplosmiddel | 7.3 X 10-9 Mol / L | Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 7.3 X 10-9 Mol / L | pH 1; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 7.3 X 10-9 Mol / L | pH 2; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 7.3 X 10-9 Mol / L | pH 3; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 7.3 X 10-9 Mol / L | pH 4; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 7.3 X 10-9 Mol / L | pH 5; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 7.3 X 10-9 Mol / L | pH 6; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 7.3 X 10-9 Mol / L | pH 7; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 7.3 X 10-9 Mol / L | pH 8; Temp: 25 ° C | (1) ACD |
| Besit | Wearde | Betingst | Boarne |
| Milarlabiliteit | 7.3 X 10-9 Mol / L | pH 9; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 7.3 X 10-9 Mol / L | pH 10; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 7.3 X 10-9 Mol / L | Unbuffered wetter Ph 7.00; Temp: 25 ° C | (1) ACD |
| Molekulêr gewicht | 641.75 | ||
| pka | 14,50 ± 0,40 | Meast Acidic Temp: 25 ° C | (1) ACD |
| pka | -3.24 ± 0,60 | Meast basic temp: 25 ° C | (1) ACD |
| Dampdruk | 7,42 x 10-25 torr | Temp: 25 ° C | (1) ACD |
(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Densheid
| Besit | Wearde | Betingst | Boarne |
| Densheid | 1.237 ± 0,06 g / cm3 | Temp: 20 ° C; Parse: 760 Torr | (1) ACD |
| Molar volume | 518.4 ± 3.0 CM3 / Mol | Temp: 20 ° C; Parse: 760 Torr | (1) ACD |
(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Lipinski
| Besit | Wearde | Betingst | Boarne |
| Frij rotatbere bonnen | 12 | (1) ACD | |
| H akseptearders | 7 | (1) ACD | |
| H Donors | 1 | (1) ACD | |
| H Donor / akseptearje SUM | 8 | (1) ACD | |
| Logp | 8.289 ± 0.729 | Temp: 25 ° C | (1) ACD |
| Molekulêr gewicht | 641.75 |
(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Struktuer relatearre
| Besit | Wearde | Betingst | Boarne |
| Polar oerflak | 77,5 a2 | (1) ACD | |
(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Thermal
| Besit | Wearde | Betingst | Boarne |
| Siedpunt | 768.7 ± 60,0 ° C | Parse: 760 Torr | (1) ACD |
| Enthalpy fan Vaporization | 117.42 ± 3.0 KJ / Mol | Parse: 760 Torr | (1) ACD |
| Flash Point | 418.7 ± 32,9 ° C | (1) ACD |
(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Spectra te krijen
1h nmr
13C NMR
![C40h49n4o9p uridine, 5 '-o- [methoxyphenyl) fenylmethyl] -2' --o-methyl-, 3 '- [2-methylethyl) fosphoramidite] (aci)](https://cdn.globalso.com/nvchem/C40H49N4O9P-Uridine-300x300.png)
![C33h317o6 l-ornithinamide, n - [(9h-fluoren-9-ylmethosy) carbonyl] -l-valyl-n5- (aminocarbonyl) fenyl] - (9ci, aci)](https://cdn.globalso.com/nvchem/C33H39N5O6-L-Ornithinamide-300x300.jpg)
![C30h29fn2o7 uridine, 5'-o- [bis (4-methovyphenyl) fenylmethyl] -2'-deoxy-2'-deoxy-2'-deoxy-2'- Fluoro- (9ci, aci)](https://cdn.globalso.com/nvchem/C30H29FN2O7-Uridine-300x300.jpg)
