C20H21NO4 1-Pyrrolidinekarboksielsuur, 4-hidroksi-2-(hidroksimetiel)-, 9H-fluoren-9-ielmetielester, (2S,4R)- (9CI, ACI)
| Sleutel Fisiese Eienskappe | Waarde | Toestand |
| Molekulêre gewig | 339,39 | - |
| Kookpunt (voorspel) | 549,8±40,0 °C | Druk: 760 Torr |
| Digtheid (voorspel) | 1,318±0,06 g/cm3 | Temp: 20 °C; Druk: 760 Torr |
| pKa (Voorspel) | 14,53±0,40 | Mees suur Temp: 25 °C |
Kanoniese SMILES O=C(OCC1C=2C=CC=CC2C=3C=CC=CC31)N4CC(O)CC4CO
Isomere GLIMLAG C(OC(=O)N1[C@H](CO)C[C@@H](O)C1)C2C=3C(C=4C2=CC=CC4)=CC=CC3
InChI
InChI=1S/C20H21NO4/c22-11-13-9-14(23)10-21(13)20(24)25-12-19-17-7-3-1-5-15(17)16- 6-2-4-8-18(16)19/h1-8,13-14,19,22-23H,9-12
H2/t13-,14+/m0/s1
InChI-sleutel
SCXXARDQPGZAJU-UONOGXRCSA-N
3 Ander name vir hierdie stof
1-Pyrrolidinekarboksielsuur, 4-hidroksi-2-(hidroksimetiel)-, 9H-fluoren-9-ielmetielester, (2S-trans)- (ZCI); 9H-Fluoreen-9-ielmetiel (2S, 4R)-4-hidroksi-2-(hidroksimetiel)-1-pirrolidienkarboksilaat (ACI); (3R,5S)-N-Fmoc-3-hidroksipirrolidien-5-metanol
| Eiendomme beskikbaar |
| Biologiese |
| Chemiese |
| Digtheid |
| Lipinski |
| Struktuurverwant |
| Termies |
Biologiese
| Eiendom | Waarde | Toestand | Bron |
| Biokonsentrasiefaktor | 49,6 | pH 1; Temp: 25 °C | (1) ACD |
| Biokonsentrasiefaktor | 49,6 | pH 2; Temp: 25 °C | (1) ACD |
| Biokonsentrasiefaktor | 49,6 | pH 3; Temp: 25 °C | (1) ACD |
| Biokonsentrasiefaktor | 49,6 | pH 4; Temp: 25 °C | (1) ACD |
| Biokonsentrasiefaktor | 49,6 | pH 5; Temp: 25 °C | (1) ACD |
| Biokonsentrasiefaktor | 49,6 | pH 6; Temp: 25 °C | (1) ACD |
| Biokonsentrasiefaktor | 49,6 | pH 7; Temp: 25 °C | (1) ACD |
| Biokonsentrasiefaktor | 49,6 | pH 8; Temp: 25 °C | (1) ACD |
| Biokonsentrasiefaktor | 49,6 | pH 9; Temp: 25 °C | (1) ACD |
| Biokonsentrasiefaktor | 49,6 | pH 10; Temp: 25 °C | (1) ACD |
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Chemiese
| Eiendom | Waarde | Toestand | Bron |
| Koc | 569 | pH 1; Temp: 25 °C | (1) ACD |
| Koc | 569 | pH 2; Temp: 25 °C | (1) ACD |
| Koc | 569 | pH 3; Temp: 25 °C | (1) ACD |
| Koc | 569 | pH 4; Temp: 25 °C | (1) ACD |
| Koc | 569 | pH 5; Temp: 25 °C | (1) ACD |
| Koc | 569 | pH 6; Temp: 25 °C | (1) ACD |
| Koc | 569 | pH 7; Temp: 25 °C | (1) ACD |
| Koc | 569 | pH 8; Temp: 25 °C | (1) ACD |
| Koc | 569 | pH 9; Temp: 25 °C | (1) ACD |
| Koc | 569 | pH 10; Temp: 25 °C | (1) ACD |
| Eiendom | Waarde | Toestand | Bron |
| logD | 2,53 | pH 1; Temp: 25 °C | (1) ACD |
| logD | 2,53 | pH 2; Temp: 25 °C | (1) ACD |
| logD | 2,53 | pH 3; Temp: 25 °C | (1) ACD |
| logD | 2,53 | pH 4; Temp: 25 °C | (1) ACD |
| logD | 2,53 | pH 5; Temp: 25 °C | (1) ACD |
| logD | 2,53 | pH 6; Temp: 25 °C | (1) ACD |
| logD | 2,53 | pH 7; Temp: 25 °C | (1) ACD |
| logD | 2,53 | pH 8; Temp: 25 °C | (1) ACD |
| logD | 2,53 | pH 9; Temp: 25 °C | (1) ACD |
| logD | 2,53 | pH 10; Temp: 25 °C | (1) ACD |
| logP | 2,534±0,636 | Temp: 25 °C | (1) ACD |
| Massa Intrinsieke Oplosbaarheid | 0,078 g/L | Temp: 25 °C | (1) ACD |
| Massa Oplosbaarheid | 0,078 g/L | pH 1; Temp: 25 °C | (1) ACD |
| Massa Oplosbaarheid | 0,078 g/L | pH 2; Temp: 25 °C | (1) ACD |
| Massa Oplosbaarheid | 0,078 g/L | pH 3; Temp: 25 °C | (1) ACD |
| Massa Oplosbaarheid | 0,078 g/L | pH 4; Temp: 25 °C | (1) ACD |
| Massa Oplosbaarheid | 0,078 g/L | pH 5; Temp: 25 °C | (1) ACD |
| Massa Oplosbaarheid | 0,078 g/L | pH 6; Temp: 25 °C | (1) ACD |
| Massa Oplosbaarheid | 0,078 g/L | pH 7; Temp: 25 °C | (1) ACD |
| Massa Oplosbaarheid | 0,078 g/L | pH 8; Temp: 25 °C | (1) ACD |
| Massa Oplosbaarheid | 0,078 g/L | pH 9; Temp: 25 °C | (1) ACD |
| Massa Oplosbaarheid | 0,078 g/L | pH 10; Temp: 25 °C | (1) ACD |
| Massa Oplosbaarheid | 0,078 g/L | Ongebufferde water pH 7.00; Temp: 25 °C | (1) ACD |
| Molêre Intrinsieke Oplosbaarheid | 2,3 x 10-4 mol/L | Temp: 25 °C | (1) ACD |
| Molêre Oplosbaarheid | 2,3 x 10-4 mol/L | pH 1; Temp: 25 °C | (1) ACD |
| Molêre Oplosbaarheid | 2,3 x 10-4 mol/L | pH 2; Temp: 25 °C | (1) ACD |
| Molêre Oplosbaarheid | 2,3 x 10-4 mol/L | pH 3; Temp: 25 °C | (1) ACD |
| Molêre Oplosbaarheid | 2,3 x 10-4 mol/L | pH 4; Temp: 25 °C | (1) ACD |
| Molêre Oplosbaarheid | 2,3 x 10-4 mol/L | pH 5; Temp: 25 °C | (1) ACD |
| Molêre Oplosbaarheid | 2,3 x 10-4 mol/L | pH 6; Temp: 25 °C | (1) ACD |
| Molêre Oplosbaarheid | 2,3 x 10-4 mol/L | pH 7; Temp: 25 °C | (1) ACD |
| Molêre Oplosbaarheid | 2,3 x 10-4 mol/L | pH 8; Temp: 25 °C | (1) ACD |
| Eiendom | Waarde | Toestand | Bron |
| Molêre Oplosbaarheid | 2,3 x 10-4 mol/L | pH 9; Temp: 25 °C | (1) ACD |
| Molêre Oplosbaarheid | 2,3 x 10-4 mol/L | pH 10; Temp: 25 °C | (1) ACD |
| Molêre Oplosbaarheid | 2,3 x 10-4 mol/L | Ongebufferde water pH 7.00; Temp: 25 °C | (1) ACD |
| Molekulêre gewig | 339,39 | ||
| pKa | 14,53±0,40 | Mees suur Temp: 25 °C | (1) ACD |
| pKa | -3,10±0,60 | Mees Basiese Temp: 25 °C | (1) ACD |
| Dampdruk | 6,35 x 10-13 Torr | 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 | 1,318±0,06 g/cm3 | Temp: 20 °C; Druk: 760 Torr | (1) ACD |
| Molêre volume | 257,3±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 | 6 | (1) ACD | |
| H Aanvaarders | 5 | (1) ACD | |
| H Skenkers | 2 | (1) ACD | |
| H Skenker/Aanvaarder Som | 7 | (1) ACD | |
| logP | 2,534±0,636 | Temp: 25 °C | (1) ACD |
| Molekulêre gewig | 339,39 |
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Struktuurverwant
| Eiendom | Waarde | Toestand | Bron |
| Polêre Oppervlakte | 70,0 A2 | (1) ACD | |
(1) Bereken deur gebruik te maak van Advanced Chemistry Development (ACD/Labs) Sagteware V11.02 (© 1994-2023 ACD/Labs)
Termies
| Eiendom | Waarde | Toestand | Bron |
| Kookpunt | 549,8±40,0 °C | Druk: 760 Torr | (1) ACD |
| Entalpie van verdamping | 87,32±3,0 kJ/mol | Druk: 760 Torr | (1) ACD |
| Flitspunt | 286,3±27,3 °C | (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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