C21H23N3O5 L-Ornitin, N5-(aminokarbonil)-N2-[(9H-fluoren-9-ilmetoksi)karbonil]- (9CI, ACI)
| Pwopriyete fizik kle yo | Valè | Kondisyon |
| Pwa molekilè | 397.43 | - |
| Pwen Ebulisyon (Prevwa) | 671.5±55.0 °C | Près: 760 Torr |
| Dansite (Prevwa) | 1.316±0.06 g/cm3 | Tanperati: 20 °C; Près: 760 Torr |
| pKa (Predi) | 3.84±0.21 | Tanperati ki pi asid: 25 °C |
SOURI Kanonik O=C(OCC1C=2C=CC=CC2C=3C=CC=CC31)NC(C(=O)O)CCCNC(=O)N
SMILES izomerik C(OC(N[C@@H](CCCNC(N)=O)C(O)=O)=O)C1C=2C(C=3C1=CC=CC3)=CC=CC2
InChI
InChI=1S/C21H23N3O5/c22-20(27)23-11-5-10-18(19(25)26)24-21(28) 29-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17/h1-4,6-9,17-18H, 5,10-12H2,(H,24,28)(H,25,26)(H3,22,23,27)/t18-/m0/s1
Kle InChI
NBMSMZSRTIOFOK-SFHVURJKSA-N
6 Lòt Non pou Sibstans sa a
N5-(Aminokarbonil)-N2-[(9H-fluoren-9-ilmetoksi)karbonil]-L-ornitin (ACI); (2S)-5-(Karbamoilamino)-2-(9HAsid -fluoren-9-ilmetoksikkarbonilamino)pentanoik; (2S)-5-(Karbamoilamino)-2-([[(9H-fluoren-9-il)metoksi]karbonil]amino)pentanoik asid; 218: PN: U S20070042401 PAJ: 29 pwoteyin reklame; 909: PN: WO2006135786 PAJ: 59 pwoteyin reklame; Fmoc-L-Sitrulin
Espèk disponib
1H RMN
13C RMN
Mès
| Pwopriyete ki disponib |
| Byolojik |
| Chimik |
| Dansite |
| Lipinski |
| Estrikti ki gen rapò |
| Tèmik |
Byolojik
| Pwopriyete | Valè | Kondisyon | Sous |
| Faktè byokonsantrasyon | 54.3 | pH 1; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 52.8 | pH 2; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 40.0 | pH 3; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 11.7 | pH 4; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1.45 | pH 5; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1.0 | pH 6; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1.0 | pH 7; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1.0 | pH 8; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1.0 | pH 9; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1.0 | 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 | 606 | pH 1; Tanperati: 25 °C | (1) ACD |
| Koc | 589 | pH 2; Tanperati: 25 °C | (1) ACD |
| Koc | 446 | pH 3; Tanperati: 25 °C | (1) ACD |
| Koc | 130 | pH 4; Tanperati: 25 °C | (1) ACD |
| Koc | 16.2 | pH 5; Tanperati: 25 °C | (1) ACD |
| Pwopriyete | Valè | Kondisyon | Sous |
| Koc | 1.76 | pH 6; Tanperati: 25 °C | (1) ACD |
| Koc | 1.0 | pH 7; Tanperati: 25 °C | (1) ACD |
| Koc | 1.0 | pH 8; Tanperati: 25 °C | (1) ACD |
| Koc | 1.0 | pH 9; Tanperati: 25 °C | (1) ACD |
| Koc | 1.0 | pH 10; Tanperati: 25 °C | (1) ACD |
| logD | 2.59 | pH 1; Tanperati: 25 °C | (1) ACD |
| logD | 2.57 | pH 2; Tanperati: 25 °C | (1) ACD |
| logD | 2.45 | pH 3; Tanperati: 25 °C | (1) ACD |
| logD | 1.92 | pH 4; Tanperati: 25 °C | (1) ACD |
| logD | 1.01 | pH 5; Tanperati: 25 °C | (1) ACD |
| logD | 0.05 | pH 6; Tanperati: 25 °C | (1) ACD |
| logD | -0.76 | pH 7; Tanperati: 25 °C | (1) ACD |
| logD | -1.10 | pH 8; Tanperati: 25 °C | (1) ACD |
| logD | -1.15 | pH 9; Tanperati: 25 °C | (1) ACD |
| logD | -1.16 | pH 10; Tanperati: 25 °C | (1) ACD |
| logP | 2.591±0.426 | Tanperati: 25 °C | (1) ACD |
| Soliblite intrinsèque nan mas | 4.8 x 10-3 g/L | Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 4.8 x 10-3 g/L | pH 1; Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 5.2 x 10-3 g/L | pH 2; Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 6.8 x 10-3 g/L | pH 3; Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 0.023 g/L | pH 4; Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 0.18 g/L | pH 5; Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 1.7 g/L | pH 6; Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 11 g/L | pH 7; Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 23 g/L | pH 8; Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 27 g/L | pH 9; Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 27 g/L | pH 10; Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 0.032 g/L | Dlo san tampon pH 4.18; Tanperati: 25 °C | (1) ACD |
| Soliblite intrinsèque molè | 1.2 x 10-5 mol/L | Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 1.2 x 10-5 mol/L | pH 1; Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 1.3 x 10-5 mol/L | pH 2; Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 1.7 x 10-5 mol/L | pH 3; Tanperati: 25 °C | (1) ACD |
| Pwopriyete | Valè | Kondisyon | Sous |
| Soliblite Molè | 5.7 x 10-5 mol/L | pH 4; Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 4.6 x 10-4 mol/L | pH 5; Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 4.2 x 10-3 mol/L | pH 6; Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 0.027 mol/L | pH 7; Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 0.059 mol/L | pH 8; Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 0.067 mol/L | pH 9; Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 0.068 mol/L | pH 10; Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 8.0 x 10-5 mol/L | Dlo san tampon pH 4.18; Tanperati: 25 °C | (1) ACD |
| Pwa molekilè | 397.43 | ||
| pKa | 3.84±0.21 | Tanperati ki pi asid: 25 °C | (1) ACD |
| pKa | -0.21±0.70 | Tanperati debaz ki pi wo a: 25 °C | (1) ACD |
| Presyon vapè | 6.01 x 10-19 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 | 1.316±0.06 g/cm3 | Tanperati: 20 °C; Près: 760 Torr | (1) ACD |
| Volim Molè | 301.8±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 | 9 | (1) ACD | |
| Akseptè H | 8 | (1) ACD | |
| Donatè H | 5 | (1) ACD | |
| Sòm Donè/Akseptè H | 13 | (1) ACD | |
| logP | 2.591±0.426 | Tanperati: 25 °C | (1) ACD |
| Pwa molekilè | 397.43 |
(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 | 131 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 | 671.5±55.0 °C | Près: 760 Torr | (1) ACD |
| Antalpi Vaporizasyon | 103.64±3.0 kJ/mol | Près: 760 Torr | (1) ACD |
| Pwen Eklatman | 359.9±31.5 °C | (1) ACD |
(1) Kalkile avèk lojisyèl Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Espèk disponib
1H RMN
13C RMN
Lis Règlemantè: IECSC, TCSI, VNECI Enfòmasyon Biznis Konfidansyèl: Piblik
| Sinonim regilasyon | ||
| Asid Fmoc-L-2-amino-5-ureido-n-valerik | IECSC | - |
| L-Ornitin, N5-(aminokarbonil)-N2-[(9H-fluoren-9-ilmetoksi)karbonil]- | TCSI, VNECI | - |
Detay pa peyi/entènasyonal ak lòt lis Enfòmasyon sou peyi/rejyon disponib
Rezime Lachin
Estati Envantè sou IECSC
Envantè Sibstans Chimik ki deja egziste nan Lachin Non(yo) ki nan lis la: Asid Fmoc-L-2-amino-5-ureido-n-valerik
Rezime Taiwan
Estati Envantè sou Gazèt Gouvènman TCSI Taiwan an
Rezime Vyetnam
Estati Envantè sou VNECI
Envantè Chimik Nasyonal Bouyon Vyetnam nan
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