C20H21NO4 1-Pirrolidinecarboxylic Aigéad, 4-hiodrocsa-2-(hiodrocsaimeitil)-, 9H- fluoren-9-ilmethyl eistear, (2S,4R)- (9CI, ACI)
| Príomh-Airíonna Fisiceacha | Luach | Coinníoll |
| Meáchan Móilíneach | 339.39 | - |
| Fiuchphointe (Tuartha) | 549.8±40.0 °C | Brúigh: 760 Torr |
| Dlús (Tuartha) | 1.318±0.06 g/cm3 | Teocht: 20 °C;Brúigh: 760 Torr |
| pKa (Tuartha) | 14.53±0.40 | Teocht is Airde: 25 °C |
Canonical SMILES O=C(OCC1C=2C=CC=CC2C=3C=CC=CC31)N4CC(O)CC4CO
SMILES isiméireacha 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
Eochair InChI
SCXXARDQPGZAJU-UONOGXRCSA-N
3 Ainmneacha Eile don tSubstaint seo
Aigéad 1-pirrolidinecarboxylic, 4-hiodrocsa-2-(hydroxymethyl)-, 9H-fluoren-9-ilmethyl eistear, (2S-trans)- (ZCI);9H-Fluoren-9-ilmethyl (2S, 4R)-4-hiodrocsa-2-(hydroxymethyl)-1-pyrrolidinecarboxylate (ACI);(3R,5S)-N-Fmoc-3-Hiodroxypyrrolidine-5-Meatánól
| Airíonna ar fáil |
| Bitheolaíoch |
| Ceimiceach |
| Dlús |
| Lipinski |
| Struchtúr Gaolmhar |
| Teirmeach |
Bitheolaíoch
| Maoin | Luach | Coinníoll | Foinse |
| Fachtóir Bithtiúchana | 49.6 | pH 1;Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 49.6 | pH 2;Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 49.6 | pH 3;Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 49.6 | pH 4;Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 49.6 | pH 5;Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 49.6 | pH 6;Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 49.6 | pH 7;Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 49.6 | pH 8;Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 49.6 | pH 9;Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 49.6 | pH 10;Teocht: 25 °C | (1) ACD |
(1) Arna ríomh ag baint úsáide as Bogearraí Ardfhorbartha Ceimice (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Ceimiceach
| Maoin | Luach | Coinníoll | Foinse |
| Cóc | 569 | pH 1;Teocht: 25 °C | (1) ACD |
| Cóc | 569 | pH 2;Teocht: 25 °C | (1) ACD |
| Cóc | 569 | pH 3;Teocht: 25 °C | (1) ACD |
| Cóc | 569 | pH 4;Teocht: 25 °C | (1) ACD |
| Cóc | 569 | pH 5;Teocht: 25 °C | (1) ACD |
| Cóc | 569 | pH 6;Teocht: 25 °C | (1) ACD |
| Cóc | 569 | pH 7;Teocht: 25 °C | (1) ACD |
| Cóc | 569 | pH 8;Teocht: 25 °C | (1) ACD |
| Cóc | 569 | pH 9;Teocht: 25 °C | (1) ACD |
| Cóc | 569 | pH 10;Teocht: 25 °C | (1) ACD |
| Maoin | Luach | Coinníoll | Foinse |
| logD | 2.53 | pH 1;Teocht: 25 °C | (1) ACD |
| logD | 2.53 | pH 2;Teocht: 25 °C | (1) ACD |
| logD | 2.53 | pH 3;Teocht: 25 °C | (1) ACD |
| logD | 2.53 | pH 4;Teocht: 25 °C | (1) ACD |
| logD | 2.53 | pH 5;Teocht: 25 °C | (1) ACD |
| logD | 2.53 | pH 6;Teocht: 25 °C | (1) ACD |
| logD | 2.53 | pH 7;Teocht: 25 °C | (1) ACD |
| logD | 2.53 | pH 8;Teocht: 25 °C | (1) ACD |
| logD | 2.53 | pH 9;Teocht: 25 °C | (1) ACD |
| logD | 2.53 | pH 10;Teocht: 25 °C | (1) ACD |
| logP | 2.534±0.636 | Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Intreach Aifrinn | 0.078 g/L | Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 0.078 g/L | pH 1;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 0.078 g/L | pH 2;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 0.078 g/L | pH 3;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 0.078 g/L | pH 4;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 0.078 g/L | pH 5;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 0.078 g/L | pH 6;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 0.078 g/L | pH 7;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 0.078 g/L | pH 8;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 0.078 g/L | pH 9;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 0.078 g/L | pH 10;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 0.078 g/L | Uisce Neamh-mhaolaithe pH 7.00;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Intreach Molar | 2.3 x 10-4 mol/L | Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 2.3 x 10-4 mol/L | pH 1;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 2.3 x 10-4 mol/L | pH 2;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 2.3 x 10-4 mol/L | pH 3;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 2.3 x 10-4 mol/L | pH 4;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 2.3 x 10-4 mol/L | pH 5;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 2.3 x 10-4 mol/L | pH 6;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 2.3 x 10-4 mol/L | pH 7;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 2.3 x 10-4 mol/L | pH 8;Teocht: 25 °C | (1) ACD |
| Maoin | Luach | Coinníoll | Foinse |
| Tuaslagthacht Molar | 2.3 x 10-4 mol/L | pH 9;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 2.3 x 10-4 mol/L | pH 10;Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 2.3 x 10-4 mol/L | Uisce Neamh-mhaolaithe pH 7.00;Teocht: 25 °C | (1) ACD |
| Meáchan Móilíneach | 339.39 | ||
| pKa | 14.53±0.40 | Teocht is Airde: 25 °C | (1) ACD |
| pKa | -3.10±0.60 | Teocht is Bunúsaí: 25 °C | (1) ACD |
| Brú Gal | 6.35 x 10-13 Torr | Teocht: 25 °C | (1) ACD |
(1) Arna ríomh ag baint úsáide as Bogearraí Ardfhorbartha Ceimice (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Dlús
| Maoin | Luach | Coinníoll | Foinse |
| Dlús | 1.318±0.06 g/cm3 | Teocht: 20 °C;Brúigh: 760 Torr | (1) ACD |
| Toirt Molar | 257.3±3.0 cm3/mól | Teocht: 20 °C;Brúigh: 760 Torr | (1) ACD |
(1) Arna ríomh ag baint úsáide as Bogearraí Ardfhorbartha Ceimice (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Maoin | Luach | Coinníoll | Foinse |
| Bannaí Rothlach Saor in Aisce | 6 | (1) ACD | |
| H Glacadóirí | 5 | (1) ACD | |
| H Deontóirí | 2 | (1) ACD | |
| H Suim Deontóra/Ghlacadóir | 7 | (1) ACD | |
| logP | 2.534±0.636 | Teocht: 25 °C | (1) ACD |
| Meáchan Móilíneach | 339.39 |
(1) Arna ríomh ag baint úsáide as Bogearraí Ardfhorbartha Ceimice (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Struchtúr Gaolmhar
| Maoin | Luach | Coinníoll | Foinse |
| Achar Dromchla Polar | 70.0 A2 | (1) ACD | |
(1) Arna ríomh ag baint úsáide as Bogearraí Ardfhorbartha Ceimice (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Teirmeach
| Maoin | Luach | Coinníoll | Foinse |
| Fiuchphointe | 549.8±40.0 °C | Brúigh: 760 Torr | (1) ACD |
| Eantalpacht Vaporization | 87.32 ±3.0 kJ/mol | Brúigh: 760 Torr | (1) ACD |
| Splancphointe | 286.3±27.3 °C | (1) ACD |
(1) Arna ríomh ag baint úsáide as Bogearraí Ardfhorbartha Ceimice (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spectra ar fáil
1H NMR
13C NMR
![C31H30N2O7 6H- Furo[2′,3′:4,5]oxazolo[3,2-a]pirimidin-6-a haon, 2-[[bis(4-meitiocsai feinil)feanilmethocsa]meitil]-2,3,3a ,9a-teitrihidre-3-hiodrocsa-7- meitil-, (2R,3R,3aS,9aR)- (9CI, ACI)](https://cdn.globalso.com/nvchem/C31H30N2O7-6H-Furo-300x300.jpg)
![C44H49N5O7Si Adenosine, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′- O-[(1,1-démheitileitil)démheitilsil]- (9CI, ACI)](https://cdn.globalso.com/nvchem/C44H49N5O7Si-Adenosine-300x300.jpg)
![C50H58N7O9P Adenosine, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ – O-(2-methocsaitil)-, 3′ – [2-cianoethyl N,N-bis(1-meitileitil ) fosfaraimídít] (ACI)](https://cdn.globalso.com/nvchem/C50H58N7O9P-Adenosine-300x300.png)
![L-Ornithinamide, L-valyl-N5-(aimínacarbóin)-N-[4-(hiodrocsaimeitil) feinil]- (9CI, ACI) H335, H319, H315, H302](https://cdn.globalso.com/nvchem/L-Ornithinamide-300x300.jpg)
![C20H31NO5 Aigéad heptanóch, 3- hiodrocsa-5-meitil-4-[[(feinilmethocsa)carbóinil] aimín]-, 1,1-démheitiolile eistear, [3R-(3R*,4S*,5S*)]- (9CI) H301](https://cdn.globalso.com/nvchem/C20H31NO5-Heptanoic-acid-300x300.jpg)
![C21H21N3O6 Timidín, α – [(1-naftaileanilmeitil)aimín]- α -oxo- (ACI)](https://cdn.globalso.com/nvchem/C21H21N3O6-Thymidine-300x300.png)