C20H21NO4 1-Pyrrolidinecarboxylic asidra, 4-hydroxy-2-(hydroxymethyl)-, 9H- fluoren-9-ylmethyl ester, (2S,4R)- (9CI, ACI)
| Toetra ara-batana fototra | sarobidy | toe-javatra |
| Lanja molekiola | 339.39 | - |
| Teboka mangotraka (voavinavina) | 549,8±40,0 °C | Press: 760 Torr |
| Density (voavinavina) | 1,318±0,06 g/cm3 | Mafana: 20 °C; Press: 760 Torr |
| pKa (voavinavina) | 14.53±0.40 | Mafana asidra indrindra: 25 °C |
SMILES Canonical O=C(OCC1C=2C=CC=CC2C=3C=CC=CC31)N4CC(O)CC4CO
SMILES Isomerik 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 Key
SCXXARDQPGZAJU-UONOGXRCSA-N
3 Anarana hafa ho an'ity akora ity
1-Pyrrolidinecarboxylic asidra, 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
| Properties misy |
| niteraka |
| simika |
| hakitroky |
| Lipinski |
| Structure Related |
| mafana |
niteraka
| NY FANANANA | sarobidy | toe-javatra | Source |
| Bioconcentration Factor | 49.6 | pH 1; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 49.6 | pH 2; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 49.6 | pH 3; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 49.6 | pH 4; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 49.6 | pH 5; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 49.6 | pH 6; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 49.6 | pH 7; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 49.6 | pH 8; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 49.6 | pH 9; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 49.6 | pH 10; Mafana: 25 °C | (1) ACD |
(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
simika
| NY FANANANA | sarobidy | toe-javatra | Source |
| Koc | 569 | pH 1; Mafana: 25 °C | (1) ACD |
| Koc | 569 | pH 2; Mafana: 25 °C | (1) ACD |
| Koc | 569 | pH 3; Mafana: 25 °C | (1) ACD |
| Koc | 569 | pH 4; Mafana: 25 °C | (1) ACD |
| Koc | 569 | pH 5; Mafana: 25 °C | (1) ACD |
| Koc | 569 | pH 6; Mafana: 25 °C | (1) ACD |
| Koc | 569 | pH 7; Mafana: 25 °C | (1) ACD |
| Koc | 569 | pH 8; Mafana: 25 °C | (1) ACD |
| Koc | 569 | pH 9; Mafana: 25 °C | (1) ACD |
| Koc | 569 | pH 10; Mafana: 25 °C | (1) ACD |
| NY FANANANA | sarobidy | toe-javatra | Source |
| logD | 2.53 | pH 1; Mafana: 25 °C | (1) ACD |
| logD | 2.53 | pH 2; Mafana: 25 °C | (1) ACD |
| logD | 2.53 | pH 3; Mafana: 25 °C | (1) ACD |
| logD | 2.53 | pH 4; Mafana: 25 °C | (1) ACD |
| logD | 2.53 | pH 5; Mafana: 25 °C | (1) ACD |
| logD | 2.53 | pH 6; Mafana: 25 °C | (1) ACD |
| logD | 2.53 | pH 7; Mafana: 25 °C | (1) ACD |
| logD | 2.53 | pH 8; Mafana: 25 °C | (1) ACD |
| logD | 2.53 | pH 9; Mafana: 25 °C | (1) ACD |
| logD | 2.53 | pH 10; Mafana: 25 °C | (1) ACD |
| logP | 2.534±0.636 | Mafana: 25 °C | (1) ACD |
| Faobe Intrinsic Solubility | 0,078 g/L | Mafana: 25 °C | (1) ACD |
| Mass Solubility | 0,078 g/L | pH 1; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 0,078 g/L | pH 2; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 0,078 g/L | pH 3; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 0,078 g/L | pH 4; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 0,078 g/L | pH 5; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 0,078 g/L | pH 6; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 0,078 g/L | pH 7; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 0,078 g/L | pH 8; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 0,078 g/L | pH 9; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 0,078 g/L | pH 10; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 0,078 g/L | Rano tsy voatsindrona pH 7.00; Mafana: 25 °C | (1) ACD |
| Molar intrinsic solubility | 2,3 x 10-4 mol/L | Mafana: 25 °C | (1) ACD |
| Molar Solubility | 2,3 x 10-4 mol/L | pH 1; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 2,3 x 10-4 mol/L | pH 2; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 2,3 x 10-4 mol/L | pH 3; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 2,3 x 10-4 mol/L | pH 4; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 2,3 x 10-4 mol/L | pH 5; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 2,3 x 10-4 mol/L | pH 6; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 2,3 x 10-4 mol/L | pH 7; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 2,3 x 10-4 mol/L | pH 8; Mafana: 25 °C | (1) ACD |
| NY FANANANA | sarobidy | toe-javatra | Source |
| Molar Solubility | 2,3 x 10-4 mol/L | pH 9; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 2,3 x 10-4 mol/L | pH 10; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 2,3 x 10-4 mol/L | Rano tsy voatsindrona pH 7.00; Mafana: 25 °C | (1) ACD |
| Lanja molekiola | 339.39 | ||
| pKa | 14.53±0.40 | Mafana asidra indrindra: 25 °C | (1) ACD |
| pKa | -3.10±0.60 | Ny mari-pana fototra indrindra: 25 °C | (1) ACD |
| Fanerena ny etona | 6.35 x 10-13 Torr | Mafana: 25 °C | (1) ACD |
(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
hakitroky
| NY FANANANA | sarobidy | toe-javatra | Source |
| hakitroky | 1,318±0,06 g/cm3 | Mafana: 20 °C; Press: 760 Torr | (1) ACD |
| Boky molar | 257.3±3.0 cm3/mol | Mafana: 20 °C; Press: 760 Torr | (1) ACD |
(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| NY FANANANA | sarobidy | toe-javatra | Source |
| Fatorana azo ahodina malalaka | 6 | (1) ACD | |
| H Acceptors | 5 | (1) ACD | |
| H Mpanome | 2 | (1) ACD | |
| H Donor/Acceptor Sum | 7 | (1) ACD | |
| logP | 2.534±0.636 | Mafana: 25 °C | (1) ACD |
| Lanja molekiola | 339.39 |
(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Structure Related
| NY FANANANA | sarobidy | toe-javatra | Source |
| Faritra ambonin'ny polar | 70.0 A2 | (1) ACD | |
(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
mafana
| NY FANANANA | sarobidy | toe-javatra | Source |
| Teboka mangotraka | 549,8±40,0 °C | Press: 760 Torr | (1) ACD |
| Enthalpy de evaporation | 87.32±3.0 kJ/mol | Press: 760 Torr | (1) ACD |
| Flash point | 286,3±27,3 °C | (1) ACD |
(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra misy
1H NMR
13C NMR
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