C20H21NO4 1-Pyrrolidinecarboxylic acid, 4-hydroxy-2-(hydroxymethyl)-, 9H- fluoren-9-ylmethyl ester, (2S,4R)- (9CI, ACI)
| Na Waiwai Kino Nui | Waiwai | Kūlana |
| Kaumaha Molekala | 339.39 | - |
| Lae paila (Wanamua) | 549.8±40.0 °C | Paʻi: 760 Torr |
| ʻAiʻa (Wanamua) | 1.318±0.06 g/cm3 | Ka mahana: 20 °C; Paʻi: 760 Torr |
| pKa (Wanamua) | 14.53±0.40 | ʻO ka Mahaʻawaʻawa loa: 25 °C |
Canonical SMILES O=C(OCC1C=2C=CC=CC2C=3C=CC=CC31)N4CC(O)CC4CO
ʻIsomeric 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
InChI Ki
SCXXARDQPGZAJU-UONOGXRCSA-N
3 Nā inoa ʻē aʻe no kēia mea
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
| Loaʻa nā waiwai |
| olaola |
| Kemika |
| ʻO ka mānoanoa |
| Lipinski |
| Hoʻonohonoho pili |
| Māmā |
olaola
| Waiwai | Waiwai | Kūlana | Puna |
| ʻO ke kumu bioconcentration | 49.6 | pH 1; Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 49.6 | pH 2; Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 49.6 | pH 3; Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 49.6 | pH 4; Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 49.6 | pH 5; Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 49.6 | pH 6; Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 49.6 | pH 7; Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 49.6 | pH 8; Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 49.6 | pH 9; Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 49.6 | pH 10; Mahana: 25 °C | (1) ACD |
(1) Ua helu ʻia me ka hoʻohana ʻana i ka Polokalamu Hoʻomohala Kemika Kiʻekiʻe (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Kemika
| Waiwai | Waiwai | Kūlana | Puna |
| Koc | 569 | pH 1; Mahana: 25 °C | (1) ACD |
| Koc | 569 | pH 2; Mahana: 25 °C | (1) ACD |
| Koc | 569 | pH 3; Mahana: 25 °C | (1) ACD |
| Koc | 569 | pH 4; Mahana: 25 °C | (1) ACD |
| Koc | 569 | pH 5; Mahana: 25 °C | (1) ACD |
| Koc | 569 | pH 6; Mahana: 25 °C | (1) ACD |
| Koc | 569 | pH 7; Mahana: 25 °C | (1) ACD |
| Koc | 569 | pH 8; Mahana: 25 °C | (1) ACD |
| Koc | 569 | pH 9; Mahana: 25 °C | (1) ACD |
| Koc | 569 | pH 10; Mahana: 25 °C | (1) ACD |
| Waiwai | Waiwai | Kūlana | Puna |
| logD | 2.53 | pH 1; Mahana: 25 °C | (1) ACD |
| logD | 2.53 | pH 2; Mahana: 25 °C | (1) ACD |
| logD | 2.53 | pH 3; Mahana: 25 °C | (1) ACD |
| logD | 2.53 | pH 4; Mahana: 25 °C | (1) ACD |
| logD | 2.53 | pH 5; Mahana: 25 °C | (1) ACD |
| logD | 2.53 | pH 6; Mahana: 25 °C | (1) ACD |
| logD | 2.53 | pH 7; Mahana: 25 °C | (1) ACD |
| logD | 2.53 | pH 8; Mahana: 25 °C | (1) ACD |
| logD | 2.53 | pH 9; Mahana: 25 °C | (1) ACD |
| logD | 2.53 | pH 10; Mahana: 25 °C | (1) ACD |
| logP | 2.534±0.636 | Mahana: 25 °C | (1) ACD |
| Hoʻoheheʻe i loko o ka nui | 0.078 g/L | Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 0.078 g/L | pH 1; Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 0.078 g/L | pH 2; Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 0.078 g/L | pH 3; Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 0.078 g/L | pH 4; Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 0.078 g/L | pH 5; Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 0.078 g/L | pH 6; Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 0.078 g/L | pH 7; Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 0.078 g/L | pH 8; Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 0.078 g/L | pH 9; Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 0.078 g/L | pH 10; Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 0.078 g/L | Wai hoʻopaʻa ʻole pH 7.00; Mahana: 25 °C | (1) ACD |
| Molar Intrinsic Solubility | 2.3 x 10-4 mol/L | Mahana: 25 °C | (1) ACD |
| Molar Solubility | 2.3 x 10-4 mol/L | pH 1; Mahana: 25 °C | (1) ACD |
| Molar Solubility | 2.3 x 10-4 mol/L | pH 2; Mahana: 25 °C | (1) ACD |
| Molar Solubility | 2.3 x 10-4 mol/L | pH 3; Mahana: 25 °C | (1) ACD |
| Molar Solubility | 2.3 x 10-4 mol/L | pH 4; Mahana: 25 °C | (1) ACD |
| Molar Solubility | 2.3 x 10-4 mol/L | pH 5; Mahana: 25 °C | (1) ACD |
| Molar Solubility | 2.3 x 10-4 mol/L | pH 6; Mahana: 25 °C | (1) ACD |
| Molar Solubility | 2.3 x 10-4 mol/L | pH 7; Mahana: 25 °C | (1) ACD |
| Molar Solubility | 2.3 x 10-4 mol/L | pH 8; Mahana: 25 °C | (1) ACD |
| Waiwai | Waiwai | Kūlana | Puna |
| Molar Solubility | 2.3 x 10-4 mol/L | pH 9; Mahana: 25 °C | (1) ACD |
| Molar Solubility | 2.3 x 10-4 mol/L | pH 10; Mahana: 25 °C | (1) ACD |
| Molar Solubility | 2.3 x 10-4 mol/L | Wai hoʻopaʻa ʻole pH 7.00; Mahana: 25 °C | (1) ACD |
| Kaumaha Molekala | 339.39 | ||
| pKa | 14.53±0.40 | ʻO ka Mahaʻawaʻawa loa: 25 °C | (1) ACD |
| pKa | -3.10±0.60 | ʻO ka mahana kumu loa: 25 °C | (1) ACD |
| ʻO ke kaomi mahu | 6.35 x 10-13 Torr | Mahana: 25 °C | (1) ACD |
(1) Ua helu ʻia me ka hoʻohana ʻana i ka Polokalamu Hoʻomohala Kemika Kiʻekiʻe (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
ʻO ka mānoanoa
| Waiwai | Waiwai | Kūlana | Puna |
| ʻO ka mānoanoa | 1.318±0.06 g/cm3 | Ka mahana: 20 °C; Paʻi: 760 Torr | (1) ACD |
| Mola Volume | 257.3±3.0 knm3/mol | Ka mahana: 20 °C; Paʻi: 760 Torr | (1) ACD |
(1) Ua helu ʻia me ka hoʻohana ʻana i ka Polokalamu Hoʻomohala Kemika Kiʻekiʻe (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Waiwai | Waiwai | Kūlana | Puna |
| Nā Paʻa Hoʻololi Kūʻokoʻa | 6 | (1) ACD | |
| H Ka poe e ae | 5 | (1) ACD | |
| H Kokua | 2 | (1) ACD | |
| H Hāʻawi/Acceptor Sum | 7 | (1) ACD | |
| logP | 2.534±0.636 | Mahana: 25 °C | (1) ACD |
| Kaumaha Molekala | 339.39 |
(1) Ua helu ʻia me ka hoʻohana ʻana i ka Polokalamu Hoʻomohala Kemika Kiʻekiʻe (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Hoʻonohonoho pili
| Waiwai | Waiwai | Kūlana | Puna |
| Wahi Polar | 70.0 A2 | (1) ACD | |
(1) Ua helu ʻia me ka hoʻohana ʻana i ka Polokalamu Hoʻomohala Kemika Kiʻekiʻe (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Māmā
| Waiwai | Waiwai | Kūlana | Puna |
| Lae paila | 549.8±40.0 °C | Paʻi: 760 Torr | (1) ACD |
| Enthalpy of Vaporization | 87.32±3.0 kJ/mol | Paʻi: 760 Torr | (1) ACD |
| Lae Flash | 286.3±27.3 °C | (1) ACD |
(1) Ua helu ʻia me ka hoʻohana ʻana i ka Polokalamu Hoʻomohala Kemika Kiʻekiʻe (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Loaʻa ka Spectra
1H NMR
13C NMR
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![C21H21N3O6 Timidina, α – [(1-naphthalenylmethyl)amino]- α -oxo- (ACI)](https://cdn.globalso.com/nvchem/C21H21N3O6-Thymidine-300x300.png)
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![C38H49NO7 1- Pyrrolidinedodecanoic acid, 2- [[bis(4-methoxyphenyl)phenylm ethoxy]methyl]-4-hydroxy-λ-oxo-, (2S,4R)- (ACI)](https://cdn.globalso.com/nvchem/C38H49NO7-1-Pyrrolidinedodecanoic-acid-300x300.jpg)
![C30H28N2O7 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-one, 2-[[bis(4-methoxy phenyl)phenylmethoxy]methyl]-2,3,3a ,9a-tetrahydro-3-hydroxy-, (2R,3R,3aS,9aR)- (9CI, ACI)](https://cdn.globalso.com/nvchem/C30H28N2O7-6H-Furo-300x300.jpg)