C20H21NO4 1-Pyrrolidinecarboxylic acid, 4-hydroxy-2- (hydroxymethyl) -, 9H- fluoren-9-ylmethyl ester, (2S,4R) - (9CI, ACI)
| Njirimara anụ ahụ igodo | Uru | Ọnọdụ |
| Ibu molekụla | 339.39 | - |
| Ebe a na-esi esi esi (buru amụma) | 549.8±40.0C | Pịa: 760 Torr |
| Njupụta (buru amụma) | 1.318±0.06 g/cm3 | Okpomọkụ: 20 °C; Pịa: 760 Torr |
| pKa (buru amụma) | 14.53±0.40 | Okpomọkụ kachasị acidic: 25 Celsius |
Canonical SILES 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
Igodo InChi
SCXXARDQPGZAJU-UONOGXRCSA-N
3 Aha ndị ọzọ maka ihe a
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
| Ngwongwo dị |
| Usoro ndu |
| Chemical |
| Njupụta |
| Lipinski |
| Ọdịdị metụtara |
| Thermal |
Usoro ndu
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Ihe kpatara bioconcentration | 49.6 | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 49.6 | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 49.6 | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 49.6 | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 49.6 | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 49.6 | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 49.6 | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 49.6 | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 49.6 | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 49.6 | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Chemical
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Koc | 569 | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 569 | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 569 | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 569 | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 569 | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 569 | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 569 | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 569 | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 569 | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 569 | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| logD | 2.53 | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 2.53 | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 2.53 | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 2.53 | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 2.53 | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 2.53 | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 2.53 | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 2.53 | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 2.53 | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | 2.53 | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
| logP | 2.534±0.636 | Okpomọkụ: 25 Celsius C | (1) ACD |
| Ọkachamara Solubility dị n'ime | 0.078 g/L | Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 0.078 g/L | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 0.078 g/L | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 0.078 g/L | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 0.078 g/L | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 0.078 g/L | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 0.078 g/L | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 0.078 g/L | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 0.078 g/L | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 0.078 g/L | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 0.078 g/L | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 0.078 g/L | Mmiri na-enweghị atụ pH 7.00; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility dị n'ime Molar | 2.3 x 10-4 mol / l | Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 2.3 x 10-4 mol / l | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 2.3 x 10-4 mol / l | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 2.3 x 10-4 mol / l | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 2.3 x 10-4 mol / l | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 2.3 x 10-4 mol / l | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 2.3 x 10-4 mol / l | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 2.3 x 10-4 mol / l | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 2.3 x 10-4 mol / l | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Solubility Molar | 2.3 x 10-4 mol / l | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 2.3 x 10-4 mol / l | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 2.3 x 10-4 mol / l | Mmiri na-enweghị atụ pH 7.00; Okpomọkụ: 25 Celsius C | (1) ACD |
| Ibu molekụla | 339.39 | ||
| pKa | 14.53±0.40 | Okpomọkụ kachasị acidic: 25 Celsius | (1) ACD |
| pKa | -3.10±0.60 | Okpomọkụ kachasị mma: 25 Celsius | (1) ACD |
| Uzuoku Nrụgide | 6.35 x 10-13 Torr | Okpomọkụ: 25 Celsius C | (1) ACD |
(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Njupụta
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Njupụta | 1.318±0.06 g/cm3 | Okpomọkụ: 20 °C; Pịa: 760 Torr | (1) ACD |
| Olu Molar | 257.3 ± 3.0 cm3 / mol | Okpomọkụ: 20 °C; Pịa: 760 Torr | (1) ACD |
(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Nkwekọrịta na-agbanwe agbanwe n'efu | 6 | (1) ACD | |
| H Ndị nnabata | 5 | (1) ACD | |
| H Ndị na-enye onyinye | 2 | (1) ACD | |
| H Donor/Anabata Nchikota | 7 | (1) ACD | |
| logP | 2.534±0.636 | Okpomọkụ: 25 Celsius C | (1) ACD |
| Ibu molekụla | 339.39 |
(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Ọdịdị metụtara
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Mpaghara elu elu | 70.0 A2 | (1) ACD | |
(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Thermal
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Ebe esi nri | 549.8±40.0C | Pịa: 760 Torr | (1) ACD |
| Enthalpy nke Vaporization | 87.32± 3.0 kJ/mol | Pịa: 760 Torr | (1) ACD |
| Ebe mgbari | 286.3±27.3 Celsius C | (1) ACD |
(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra dị
1H NMR
13C NMR
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