C20H21NO4 asid 1-pirolidinkarboksilik, 4-idroksi-2-(idroksimetil)-, 9H- fliyòren-9-ilmetil estè, (2S,4R)- (9CI, ACI)
| Pwopriyete fizik kle yo | Valè | Kondisyon |
| Pwa molekilè | 339.39 | - |
| Pwen Ebulisyon (Prevwa) | 549.8±40.0 °C | Près: 760 Torr |
| Dansite (Prevwa) | 1.318±0.06 g/cm3 | Tanperati: 20 °C; Près: 760 Torr |
| pKa (Predi) | 14.53±0.40 | Tanperati ki pi asid: 25 °C |
SOURI Kanonik O=C(OCC1C=2C=CC=CC2C=3C=CC=CC31)N4CC(O)CC4CO
SMILES izomerik C(OC(=O)N1[C@H](CO)C[C@@H](O)C1)C2C=3C(C=4C2=CC=CC4)=CC=CC3
InChI
NanChI=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
Kle InChI
SCXXARDQPGZAJU-UONOGXRCSA-N
3 Lòt Non pou Sibstans sa a
Asid 1-pirolidinkarboksilik, 4-idroksi-2-(idroksimetil)-, 9H-fluoren-9-ilmetil estè, (2S-trans)- (ZCI); 9H-Fluoren-9-ilmetil (2S, 4R)-4-idroksi-2-(idroksimetil)-1-pirolidinkarboksilat (ACI); (3R,5S)-N-Fmoc-3-Idroksipirolidin-5-Metanòl
| Pwopriyete ki disponib |
| Byolojik |
| Chimik |
| Dansite |
| Lipinski |
| Estrikti ki gen rapò |
| Tèmik |
Byolojik
| Pwopriyete | Valè | Kondisyon | Sous |
| Faktè byokonsantrasyon | 49.6 | pH 1; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 49.6 | pH 2; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 49.6 | pH 3; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 49.6 | pH 4; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 49.6 | pH 5; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 49.6 | pH 6; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 49.6 | pH 7; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 49.6 | pH 8; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 49.6 | pH 9; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 49.6 | pH 10; Tanperati: 25 °C | (1) ACD |
(1) Kalkile avèk lojisyèl Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Chimik
| Pwopriyete | Valè | Kondisyon | Sous |
| Koc | 569 | pH 1; Tanperati: 25 °C | (1) ACD |
| Koc | 569 | pH 2; Tanperati: 25 °C | (1) ACD |
| Koc | 569 | pH 3; Tanperati: 25 °C | (1) ACD |
| Koc | 569 | pH 4; Tanperati: 25 °C | (1) ACD |
| Koc | 569 | pH 5; Tanperati: 25 °C | (1) ACD |
| Koc | 569 | pH 6; Tanperati: 25 °C | (1) ACD |
| Koc | 569 | pH 7; Tanperati: 25 °C | (1) ACD |
| Koc | 569 | pH 8; Tanperati: 25 °C | (1) ACD |
| Koc | 569 | pH 9; Tanperati: 25 °C | (1) ACD |
| Koc | 569 | pH 10; Tanperati: 25 °C | (1) ACD |
| Pwopriyete | Valè | Kondisyon | Sous |
| logD | 2.53 | pH 1; Tanperati: 25 °C | (1) ACD |
| logD | 2.53 | pH 2; Tanperati: 25 °C | (1) ACD |
| logD | 2.53 | pH 3; Tanperati: 25 °C | (1) ACD |
| logD | 2.53 | pH 4; Tanperati: 25 °C | (1) ACD |
| logD | 2.53 | pH 5; Tanperati: 25 °C | (1) ACD |
| logD | 2.53 | pH 6; Tanperati: 25 °C | (1) ACD |
| logD | 2.53 | pH 7; Tanperati: 25 °C | (1) ACD |
| logD | 2.53 | pH 8; Tanperati: 25 °C | (1) ACD |
| logD | 2.53 | pH 9; Tanperati: 25 °C | (1) ACD |
| logD | 2.53 | pH 10; Tanperati: 25 °C | (1) ACD |
| logP | 2.534±0.636 | Tanperati: 25 °C | (1) ACD |
| Soliblite intrinsèque nan mas | 0.078 g/L | Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 0.078 g/L | pH 1; Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 0.078 g/L | pH 2; Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 0.078 g/L | pH 3; Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 0.078 g/L | pH 4; Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 0.078 g/L | pH 5; Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 0.078 g/L | pH 6; Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 0.078 g/L | pH 7; Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 0.078 g/L | pH 8; Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 0.078 g/L | pH 9; Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 0.078 g/L | pH 10; Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 0.078 g/L | Dlo san tampon pH 7.00; Tanperati: 25 °C | (1) ACD |
| Soliblite intrinsèque molè | 2.3 x 10-4 mol/L | Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 2.3 x 10-4 mol/L | pH 1; Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 2.3 x 10-4 mol/L | pH 2; Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 2.3 x 10-4 mol/L | pH 3; Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 2.3 x 10-4 mol/L | pH 4; Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 2.3 x 10-4 mol/L | pH 5; Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 2.3 x 10-4 mol/L | pH 6; Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 2.3 x 10-4 mol/L | pH 7; Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 2.3 x 10-4 mol/L | pH 8; Tanperati: 25 °C | (1) ACD |
| Pwopriyete | Valè | Kondisyon | Sous |
| Soliblite Molè | 2.3 x 10-4 mol/L | pH 9; Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 2.3 x 10-4 mol/L | pH 10; Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 2.3 x 10-4 mol/L | Dlo san tampon pH 7.00; Tanperati: 25 °C | (1) ACD |
| Pwa molekilè | 339.39 | ||
| pKa | 14.53±0.40 | Tanperati ki pi asid: 25 °C | (1) ACD |
| pKa | -3.10±0.60 | Tanperati debaz ki pi wo a: 25 °C | (1) ACD |
| Presyon vapè | 6.35 x 10-13 Torr | Tanperati: 25 °C | (1) ACD |
(1) Kalkile avèk lojisyèl Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Dansite
| Pwopriyete | Valè | Kondisyon | Sous |
| Dansite | 1.318±0.06 g/cm3 | Tanperati: 20 °C; Près: 760 Torr | (1) ACD |
| Volim Molè | 257.3±3.0 cm3/mol | Tanperati: 20 °C; Près: 760 Torr | (1) ACD |
(1) Kalkile avèk lojisyèl Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Pwopriyete | Valè | Kondisyon | Sous |
| Obligasyon ki ka vire lib | 6 | (1) ACD | |
| Akseptè H | 5 | (1) ACD | |
| Donatè H | 2 | (1) ACD | |
| Sòm Donè/Akseptè H | 7 | (1) ACD | |
| logP | 2.534±0.636 | Tanperati: 25 °C | (1) ACD |
| Pwa molekilè | 339.39 |
(1) Kalkile avèk lojisyèl Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Estrikti ki gen rapò
| Pwopriyete | Valè | Kondisyon | Sous |
| Sifas polè | 70.0 A2 | (1) ACD | |
(1) Kalkile avèk lojisyèl Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Tèmik
| Pwopriyete | Valè | Kondisyon | Sous |
| Pwen ebulisyon | 549.8±40.0 °C | Près: 760 Torr | (1) ACD |
| Antalpi Vaporizasyon | 87.32±3.0 kJ/mol | Près: 760 Torr | (1) ACD |
| Pwen Eklatman | 286.3±27.3 °C | (1) ACD |
(1) Kalkile avèk lojisyèl Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
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