C21H23N3O5 L-Ornithine, N5-(aminocarbonyl)-N2-[(9H-fluoren-9-ylmethoxy) carbonyl]- (9CI, ACI)
Sifa Muhimu za Kimwili | Thamani | Hali |
Uzito wa Masi | 397.43 | - |
Kiwango cha Kuchemka (Iliyotabiriwa) | 671.5±55.0 °C | Bonyeza: 760 Torr |
Msongamano (Uliotabiriwa) | 1.316±0.06 g/cm3 | Joto: 20 ° C; Bonyeza: 760 Torr |
pKa (Iliyotabiriwa) | 3.84±0.21 | Halijoto ya Asidi Zaidi: 25 °C |
TABASAMU za Kisheria O=C(OCC1C=2C=CC=CC2C=3C=CC=CC31)NC(C(=O)O)CCCNC(=O)N
Isomeric SMILES 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
Ufunguo wa InChI
NBMSMZSRTIOFOK-SFHVURJKSA-N
6 Majina Mengine ya Dawa hii
N5-(Aminocarbonyl)-N2- [(9H-fluoren-9-ylmethoxy)carbonyl]-L-ornithine (ACI); (2S)-5-(Carbamoylamino)-2-(9H-fluoren-9-ylmethox ycarbonylamino)asidi ya pentanoic; (2S)-5-(Carbamoylamino)-2-([[(9H-fluoren-9-yl)methoxy]carbonyl]amino)asidi ya pentanoiki; 218: PN: U S20070042401 UKURASA: 29 zinazodaiwa protini; 909: PN: WO2006135786 UKURASA: 59 walidai protini; Fmoc-L-Citrulline
Spectra inapatikana
1H NMR
13C NMR
Misa
Mali zinazopatikana |
Kibiolojia |
Kemikali |
Msongamano |
Lipinski |
Kuhusiana na Muundo |
Joto |
Kibiolojia
Mali | Thamani | Hali | Chanzo |
Kipengele cha Mkusanyiko wa Kibiolojia | 54.3 | pH 1; Joto: 25 °C | (1) ACD |
Kipengele cha Mkusanyiko wa Kibiolojia | 52.8 | pH 2; Joto: 25 °C | (1) ACD |
Kipengele cha Mkusanyiko wa Kibiolojia | 40.0 | pH 3; Joto: 25 °C | (1) ACD |
Kipengele cha Mkusanyiko wa Kibiolojia | 11.7 | pH 4; Joto: 25 °C | (1) ACD |
Kipengele cha Mkusanyiko wa Kibiolojia | 1.45 | pH 5; Joto: 25 °C | (1) ACD |
Kipengele cha Mkusanyiko wa Kibiolojia | 1.0 | pH 6; Joto: 25 °C | (1) ACD |
Kipengele cha Mkusanyiko wa Kibiolojia | 1.0 | pH 7; Joto: 25 °C | (1) ACD |
Kipengele cha Mkusanyiko wa Kibiolojia | 1.0 | pH 8; Joto: 25 °C | (1) ACD |
Kipengele cha Mkusanyiko wa Kibiolojia | 1.0 | pH 9; Joto: 25 °C | (1) ACD |
Kipengele cha Mkusanyiko wa Kibiolojia | 1.0 | pH 10; Joto: 25 °C | (1) ACD |
(1) Imekokotolewa kwa kutumia Advanced Kemia Development (ACD/Labs) Programu V11.02 (© 1994-2023 ACD/Labs)
Kemikali
Mali | Thamani | Hali | Chanzo |
Koc | 606 | pH 1; Joto: 25 °C | (1) ACD |
Koc | 589 | pH 2; Joto: 25 °C | (1) ACD |
Koc | 446 | pH 3; Joto: 25 °C | (1) ACD |
Koc | 130 | pH 4; Joto: 25 °C | (1) ACD |
Koc | 16.2 | pH 5; Joto: 25 °C | (1) ACD |
Mali | Thamani | Hali | Chanzo |
Koc | 1.76 | pH 6; Joto: 25 °C | (1) ACD |
Koc | 1.0 | pH 7; Joto: 25 °C | (1) ACD |
Koc | 1.0 | pH 8; Joto: 25 °C | (1) ACD |
Koc | 1.0 | pH 9; Joto: 25 °C | (1) ACD |
Koc | 1.0 | pH 10; Joto: 25 °C | (1) ACD |
logD | 2.59 | pH 1; Joto: 25 °C | (1) ACD |
logD | 2.57 | pH 2; Joto: 25 °C | (1) ACD |
logD | 2.45 | pH 3; Joto: 25 °C | (1) ACD |
logD | 1.92 | pH 4; Joto: 25 °C | (1) ACD |
logD | 1.01 | pH 5; Joto: 25 °C | (1) ACD |
logD | 0.05 | pH 6; Joto: 25 °C | (1) ACD |
logD | -0.76 | pH 7; Joto: 25 °C | (1) ACD |
logD | -1.10 | pH 8; Joto: 25 °C | (1) ACD |
logD | -1.15 | pH 9; Joto: 25 °C | (1) ACD |
logD | -1.16 | pH 10; Joto: 25 °C | (1) ACD |
logP | 2.591±0.426 | Joto: 25 °C | (1) ACD |
Umumunyifu wa Ndani wa Misa | 4.8 x 10-3 g/L | Joto: 25 °C | (1) ACD |
Umumunyifu wa Misa | 4.8 x 10-3 g/L | pH 1; Joto: 25 °C | (1) ACD |
Umumunyifu wa Misa | 5.2 x 10-3 g/L | pH 2; Joto: 25 °C | (1) ACD |
Umumunyifu wa Misa | 6.8 x 10-3 g/L | pH 3; Joto: 25 °C | (1) ACD |
Umumunyifu wa Misa | 0.023 g/L | pH 4; Joto: 25 °C | (1) ACD |
Umumunyifu wa Misa | 0.18 g/L | pH 5; Joto: 25 °C | (1) ACD |
Umumunyifu wa Misa | 1.7 g/L | pH 6; Joto: 25 °C | (1) ACD |
Umumunyifu wa Misa | 11 g/L | pH 7; Joto: 25 °C | (1) ACD |
Umumunyifu wa Misa | 23 g/L | pH 8; Joto: 25 °C | (1) ACD |
Umumunyifu wa Misa | 27 g/L | pH 9; Joto: 25 °C | (1) ACD |
Umumunyifu wa Misa | 27 g/L | pH 10; Joto: 25 °C | (1) ACD |
Umumunyifu wa Misa | 0.032 g/L | Maji yasio na buffered pH 4.18; Joto: 25 °C | (1) ACD |
Umumunyifu wa Ndani wa Molar | 1.2 x 10-5 mol/L | Joto: 25 °C | (1) ACD |
Umumunyifu wa Molar | 1.2 x 10-5 mol/L | pH 1; Joto: 25 °C | (1) ACD |
Umumunyifu wa Molar | 1.3 x 10-5 mol/L | pH 2; Joto: 25 °C | (1) ACD |
Umumunyifu wa Molar | 1.7 x 10-5 mol/L | pH 3; Joto: 25 °C | (1) ACD |
Mali | Thamani | Hali | Chanzo |
Umumunyifu wa Molar | 5.7 x 10-5 mol/L | pH 4; Joto: 25 °C | (1) ACD |
Umumunyifu wa Molar | 4.6 x 10-4 mol/L | pH 5; Joto: 25 °C | (1) ACD |
Umumunyifu wa Molar | 4.2 x 10-3 mol/L | pH 6; Joto: 25 °C | (1) ACD |
Umumunyifu wa Molar | 0.027 mol/L | pH 7; Joto: 25 °C | (1) ACD |
Umumunyifu wa Molar | 0.059 mol/L | pH 8; Joto: 25 °C | (1) ACD |
Umumunyifu wa Molar | 0.067 mol/L | pH 9; Joto: 25 °C | (1) ACD |
Umumunyifu wa Molar | 0.068 mol/L | pH 10; Joto: 25 °C | (1) ACD |
Umumunyifu wa Molar | 8.0 x 10-5 mol/L | Maji yasio na buffered pH 4.18; Joto: 25 °C | (1) ACD |
Uzito wa Masi | 397.43 | ||
pKa | 3.84±0.21 | Halijoto ya Asidi Zaidi: 25 °C | (1) ACD |
pKa | -0.21±0.70 | Joto la Msingi Zaidi: 25 °C | (1) ACD |
Shinikizo la Mvuke | 6.01 x 10-19 Torr | Joto: 25 °C | (1) ACD |
(1) Imekokotolewa kwa kutumia Advanced Kemia Development (ACD/Labs) Programu V11.02 (© 1994-2023 ACD/Labs)
Msongamano
Mali | Thamani | Hali | Chanzo |
Msongamano | 1.316±0.06 g/cm3 | Joto: 20 ° C; Bonyeza: 760 Torr | (1) ACD |
Kiasi cha Molar | 301.8±3.0 cm3/mol | Joto: 20 ° C; Bonyeza: 760 Torr | (1) ACD |
(1) Imekokotolewa kwa kutumia Advanced Kemia Development (ACD/Labs) Programu V11.02 (© 1994-2023 ACD/Labs)
Lipinski
Mali | Thamani | Hali | Chanzo |
Vifungo vinavyoweza kuzungushwa kwa Uhuru | 9 | (1) ACD | |
H Wakubali | 8 | (1) ACD | |
H Wafadhili | 5 | (1) ACD | |
H Jumla ya Mfadhili/Mpokeaji | 13 | (1) ACD | |
logP | 2.591±0.426 | Joto: 25 °C | (1) ACD |
Uzito wa Masi | 397.43 |
(1) Imekokotolewa kwa kutumia Advanced Kemia Development (ACD/Labs) Programu V11.02 (© 1994-2023 ACD/Labs)
Kuhusiana na Muundo
Mali | Thamani | Hali | Chanzo |
Eneo la Uso wa Polar | 131 A2 | (1) ACD |
(1) Imekokotolewa kwa kutumia Advanced Kemia Development (ACD/Labs) Programu V11.02 (© 1994-2023 ACD/Labs)
Joto
Mali | Thamani | Hali | Chanzo |
Kiwango cha kuchemsha | 671.5±55.0 °C | Bonyeza: 760 Torr | (1) ACD |
Enthalpy ya vaporization | 103.64±3.0 kJ/mol | Bonyeza: 760 Torr | (1) ACD |
Kiwango cha Kiwango | 359.9±31.5 °C | (1) ACD |
(1) Imekokotolewa kwa kutumia Advanced Kemia Development (ACD/Labs) Programu V11.02 (© 1994-2023 ACD/Labs)
Spectra inapatikana
1H NMR
13C NMR
Orodha ya Udhibiti: IECSC, TCSI, VNECI Taarifa ya Siri ya Biashara: Umma
Visawe vya Udhibiti | ||
Fmoc-L-2-amino-5-ureido-n-valeric asidi | IECSC | - |
L-Ornithine, N5-(aminocarbonyl)-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]- | TCSI, VNECI | - |
Maelezo kwa Nchi/Kimataifa & Orodha Nyingine Taarifa za Nchi/Mkoa Zinazopatikana
Muhtasari wa China
Hali ya Malipo kwenye IECSC
Orodha ya Kemikali Zilizopo nchini Uchina Majina Yaliyoorodheshwa: Fmoc-L-2-amino-5-ureido-n-valeric acid
Muhtasari wa Taiwan
Hali ya Malipo kwenye Gazeti la Serikali la TCSI la Taiwan
Muhtasari wa Viet Nam
Hali ya Malipo kwenye VNECI
Rasimu ya Mali ya Kitaifa ya Kemikali ya Vietnam