C21H23N3O5 L-Ornithine, N5-(aminocarbonyl)-N2-[(9H-fluoren-9-ylmethoxy) carbonyl]- (9CI, ACI)

bidhaa

C21H23N3O5 L-Ornithine, N5-(aminocarbonyl)-N2-[(9H-fluoren-9-ylmethoxy) carbonyl]- (9CI, ACI)

Taarifa za Msingi:


Maelezo ya Bidhaa

Lebo za Bidhaa

Tabia za kimwili

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

Majina Mengine na Vitambulisho

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 ya Majaribio

Spectra inapatikana
1H NMR
13C NMR
Misa

Mali Zilizotabiriwa

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
Kuchemka 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 iliyotabiriwa

Spectra inapatikana
1H NMR
13C NMR

Taarifa za Udhibiti

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

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L-Ornithine, N5-(aminocarbonyl)-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]- TCSI, VNECI

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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


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