C20H21NO4 1-Pyrrolidinecarboxylic acid, 4-hydroxy-2-(hydroxymethyl)-, 9H- fluoren-9-ylmethyl ester, (2S,4R)- (9CI, ACI)
| Lintho Tsa Bohlokoa Tsa 'Mele | Boleng | Boemo |
| Boima ba Molek'hule | 339.39 | - |
| Sebaka se belang (Se boletsoeng esale pele) | 549.8±40.0 °C | Tobetsa: 760 Torr |
| Boima (bo boletsoeng esale pele) | 1.318±0.06 g/cm3 | Mocheso: 20 °C; Tobetsa: 760 Torr |
| pKa (E boletsoeng esale pele) | 14.53±0,40 | Mocheso o nang le Asiti ka ho Fetisisa: 25 °C |
Lipososelo tsa Canonical O=C(OCC1C=2C=CC=CC2C=3C=CC=CC31)N4CC(O)CC4CO
Isomeric SMILES 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
Senotlolo sa InChi
SCXXARDQPGZAJU-UONOGXRCSA-N
3 Mabitso a Mang a Ntho ena
1-Pyrrolidinecarboxylic acid, 4-hydroxy-2- (hydroxymethyl)-, 9H-fluoren-9-ylmethyl ester, (2S-trans) - (ZCI); 9H-Fluoren-9-ylmethyl (2S, 4R) -4-hydroxy-2- (hydroxymethyl) -1-pyrrolidinecarboxylate (ACI); (3R,5S)-N-Fmoc-3-Hydroxypyrrolidine-5-Methanol
| Thepa e teng |
| Likokoana-hloko |
| Lik'hemik'hale |
| Botenya |
| Lipinski |
| Sebopeho se Amanang |
| Mocheso |
Likokoana-hloko
| Thepa | Boleng | Boemo | Mohloli |
| Bioconcentration Factor | 49.6 | pH 1; Mocheso: 25 °C | (1) ACD |
| Bioconcentration Factor | 49.6 | pH 2; Mocheso: 25 °C | (1) ACD |
| Bioconcentration Factor | 49.6 | pH 3; Mocheso: 25 °C | (1) ACD |
| Bioconcentration Factor | 49.6 | pH 4; Mocheso: 25 °C | (1) ACD |
| Bioconcentration Factor | 49.6 | pH 5; Mocheso: 25 °C | (1) ACD |
| Bioconcentration Factor | 49.6 | pH 6; Mocheso: 25 °C | (1) ACD |
| Bioconcentration Factor | 49.6 | pH 7; Mocheso: 25 °C | (1) ACD |
| Bioconcentration Factor | 49.6 | pH 8; Mocheso: 25 °C | (1) ACD |
| Bioconcentration Factor | 49.6 | pH 9; Mocheso: 25 °C | (1) ACD |
| Bioconcentration Factor | 49.6 | pH 10; Mocheso: 25 °C | (1) ACD |
(1) E baloang ho sebelisoa Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lik'hemik'hale
| Thepa | Boleng | Boemo | Mohloli |
| Koc | 569 | pH 1; Mocheso: 25 °C | (1) ACD |
| Koc | 569 | pH 2; Mocheso: 25 °C | (1) ACD |
| Koc | 569 | pH 3; Mocheso: 25 °C | (1) ACD |
| Koc | 569 | pH 4; Mocheso: 25 °C | (1) ACD |
| Koc | 569 | pH 5; Mocheso: 25 °C | (1) ACD |
| Koc | 569 | pH 6; Mocheso: 25 °C | (1) ACD |
| Koc | 569 | pH 7; Mocheso: 25 °C | (1) ACD |
| Koc | 569 | pH 8; Mocheso: 25 °C | (1) ACD |
| Koc | 569 | pH 9; Mocheso: 25 °C | (1) ACD |
| Koc | 569 | pH 10; Mocheso: 25 °C | (1) ACD |
| Thepa | Boleng | Boemo | Mohloli |
| logD | 2.53 | pH 1; Mocheso: 25 °C | (1) ACD |
| logD | 2.53 | pH 2; Mocheso: 25 °C | (1) ACD |
| logD | 2.53 | pH 3; Mocheso: 25 °C | (1) ACD |
| logD | 2.53 | pH 4; Mocheso: 25 °C | (1) ACD |
| logD | 2.53 | pH 5; Mocheso: 25 °C | (1) ACD |
| logD | 2.53 | pH 6; Mocheso: 25 °C | (1) ACD |
| logD | 2.53 | pH 7; Mocheso: 25 °C | (1) ACD |
| logD | 2.53 | pH 8; Mocheso: 25 °C | (1) ACD |
| logD | 2.53 | pH 9; Mocheso: 25 °C | (1) ACD |
| logD | 2.53 | pH 10; Mocheso: 25 °C | (1) ACD |
| logP | 2.534±0.636 | Mocheso: 25 °C | (1) ACD |
| Mass Intrinsic Sollubility | 0.078 g/L | Mocheso: 25 °C | (1) ACD |
| Ho qhibiliha ka bongata | 0.078 g/L | pH 1; Mocheso: 25 °C | (1) ACD |
| Ho qhibiliha ka bongata | 0.078 g/L | pH 2; Mocheso: 25 °C | (1) ACD |
| Ho qhibiliha ka bongata | 0.078 g/L | pH 3; Mocheso: 25 °C | (1) ACD |
| Ho qhibiliha ka bongata | 0.078 g/L | pH 4; Mocheso: 25 °C | (1) ACD |
| Ho qhibiliha ka bongata | 0.078 g/L | pH 5; Mocheso: 25 °C | (1) ACD |
| Ho qhibiliha ka bongata | 0.078 g/L | pH 6; Mocheso: 25 °C | (1) ACD |
| Ho qhibiliha ka bongata | 0.078 g/L | pH 7; Mocheso: 25 °C | (1) ACD |
| Ho qhibiliha ka bongata | 0.078 g/L | pH 8; Mocheso: 25 °C | (1) ACD |
| Ho qhibiliha ka bongata | 0.078 g/L | pH 9; Mocheso: 25 °C | (1) ACD |
| Ho qhibiliha ka bongata | 0.078 g/L | pH 10; Mocheso: 25 °C | (1) ACD |
| Ho qhibiliha ka bongata | 0.078 g/L | Metsi a sa tsitsang pH 7.00; Mocheso: 25 °C | (1) ACD |
| Molar Intrinsic Solubility | 2.3 x 10-4 mol/L | Mocheso: 25 °C | (1) ACD |
| Molar Solubility | 2.3 x 10-4 mol/L | pH 1; Mocheso: 25 °C | (1) ACD |
| Molar Solubility | 2.3 x 10-4 mol/L | pH 2; Mocheso: 25 °C | (1) ACD |
| Molar Solubility | 2.3 x 10-4 mol/L | pH 3; Mocheso: 25 °C | (1) ACD |
| Molar Solubility | 2.3 x 10-4 mol/L | pH 4; Mocheso: 25 °C | (1) ACD |
| Molar Solubility | 2.3 x 10-4 mol/L | pH 5; Mocheso: 25 °C | (1) ACD |
| Molar Solubility | 2.3 x 10-4 mol/L | pH 6; Mocheso: 25 °C | (1) ACD |
| Molar Solubility | 2.3 x 10-4 mol/L | pH 7; Mocheso: 25 °C | (1) ACD |
| Molar Solubility | 2.3 x 10-4 mol/L | pH 8; Mocheso: 25 °C | (1) ACD |
| Thepa | Boleng | Boemo | Mohloli |
| Molar Solubility | 2.3 x 10-4 mol/L | pH 9; Mocheso: 25 °C | (1) ACD |
| Molar Solubility | 2.3 x 10-4 mol/L | pH 10; Mocheso: 25 °C | (1) ACD |
| Molar Solubility | 2.3 x 10-4 mol/L | Metsi a sa tsitsang pH 7.00; Mocheso: 25 °C | (1) ACD |
| Boima ba Molek'hule | 339.39 | ||
| pKa | 14.53±0,40 | Mocheso o nang le Asiti ka ho Fetisisa: 25 °C | (1) ACD |
| pKa | -3.10±0,60 | Mocheso ka ho Fetisisa oa Motheo: 25 °C | (1) ACD |
| Khatello ea Mouoane | 6.35 x 10-13 Torr | Mocheso: 25 °C | (1) ACD |
(1) E baloang ho sebelisoa Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Botenya
| Thepa | Boleng | Boemo | Mohloli |
| Botenya | 1.318±0.06 g/cm3 | Mocheso: 20 °C; Tobetsa: 760 Torr | (1) ACD |
| Molumo oa Molar | 257.3±3.0 cm3/mol | Mocheso: 20 °C; Tobetsa: 760 Torr | (1) ACD |
(1) E baloang ho sebelisoa Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Thepa | Boleng | Boemo | Mohloli |
| Li-Bonds tse ka fetolehang ka bolokolohi | 6 | (1) ACD | |
| H Ba amohelang | 5 | (1) ACD | |
| H Bafani | 2 | (1) ACD | |
| H Kakaretso ea Mofani/Moamoheli | 7 | (1) ACD | |
| logP | 2.534±0.636 | Mocheso: 25 °C | (1) ACD |
| Boima ba Molek'hule | 339.39 |
(1) E baloang ho sebelisoa Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Sebopeho se Amanang
| Thepa | Boleng | Boemo | Mohloli |
| Sebaka sa Polar Surface | 70.0 A2 | (1) ACD | |
(1) E baloang ho sebelisoa Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Mocheso
| Thepa | Boleng | Boemo | Mohloli |
| Ntlha e belang | 549.8±40.0 °C | Tobetsa: 760 Torr | (1) ACD |
| Enthalpy ea vaporization | 87.32±3.0 kJ/mol | Tobetsa: 760 Torr | (1) ACD |
| Flash point | 286.3±27.3 °C | (1) ACD |
(1) E baloang ho sebelisoa Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra e fumaneha
1H NMR
13C NMR
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