C33H39N5O6 L-Ornithinamide, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-valyl-N5- (aminocarbonyl)-N-[4-(hydroxymethyl)phenyl]- (9CI, ACI)

bidhaa

C33H39N5O6 L-Ornithinamide, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-valyl-N5- (aminocarbonyl)-N-[4-(hydroxymethyl)phenyl]- (9CI, ACI)

Taarifa za Msingi:


Maelezo ya Bidhaa

Lebo za Bidhaa

Tabia za kimwili

Sifa Muhimu za Kimwili Thamani Hali
Uzito wa Masi 601.69 -
Kiwango cha Kuchemka (Iliyotabiriwa) 914.2±65.0 °C Bonyeza: 760 Torr
Msongamano (Uliotabiriwa) 1.276±0.06 g/cm3 Joto: 20 ° C;Bonyeza: 760 Torr
pKa (Iliyotabiriwa) 10.63±0.46 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)NC(C(=O)NC4=CC=C(C=C4)CO)CCCNC(=O) )N)C(C)C
Isomeric SMILES C(OC(N[C@H](C(N[C@H](C(NC1=CC=C(CO)C=C1)=O)CCCNC(N)=O)=O)[ C@H](C)C)=O)C2C=3C(C=4C2=CC=CC4)=CC=CC3
InChI
InChI=1S/C33H39N5O6/c1-20(2)29(38-33(43)44-19-27-25-10-5-3-8-23(25)24-9-4-6-11- 26(24)27)31(41)37-28(12-7-17-35- 32(34)42)30(40)36-22-15-13-21(18-39)14-16- 22/h3-6,8-11,13-16,20,27-29,39H,7,12,17-19H2,1-2H3,(H,36,40)(H,37,41)(H ,38,43)(H3,34,3
5,42)/t28-,29-/m0/s1
Ufunguo wa InChi
DALMAZHDNFCDRP-VMPREFPWSA-N
1 Jina Lingine la Dawa hii
N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-valyl-N5-(aminocarbonyl)-N-[4-(hydroxymethyl)phenyl]-L-ornithinamide (ACI)

Spectra ya Majaribio

Spectra inapatikana
1H NMR
13C NMR

Mali Zilizotabiriwa

Mali zinazopatikana
Kibiolojia
Kemikali
Msongamano
Lipinski
Kuhusiana na Muundo
Joto

Kibiolojia

Mali Thamani Hali Chanzo
Kipengele cha Mkusanyiko wa Kibiolojia 809 pH 1;Joto: 25 °C (1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia 912 pH 2;Joto: 25 °C (1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia 923 pH 3;Joto: 25 °C (1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia 924 pH 4;Joto: 25 °C (1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia 924 pH 5;Joto: 25 °C (1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia 924 pH 6;Joto: 25 °C (1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia 924 pH 7;Joto: 25 °C (1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia 922 pH 8;Joto: 25 °C (1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia 903 pH 9;Joto: 25 °C (1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia 750 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 4040 pH 1;Joto: 25 °C (1) ACD
Koc 4550 pH 2;Joto: 25 °C (1) ACD
Koc 4610 pH 3;Joto: 25 °C (1) ACD
Koc 4620 pH 4;Joto: 25 °C (1) ACD
Koc 4620 pH 5;Joto: 25 °C (1) ACD
Koc 4620 pH 6;Joto: 25 °C (1) ACD

 

Mali Thamani Hali Chanzo
Koc 4620 pH 7;Joto: 25 °C (1) ACD
Koc 4610 pH 8;Joto: 25 °C (1) ACD
Koc 4510 pH 9;Joto: 25 °C (1) ACD
Koc 3740 pH 10;Joto: 25 °C (1) ACD
logD 4.15 pH 1;Joto: 25 °C (1) ACD
logD 4.20 pH 2;Joto: 25 °C (1) ACD
logD 4.20 pH 3;Joto: 25 °C (1) ACD
logD 4.20 pH 4;Joto: 25 °C (1) ACD
logD 4.21 pH 5;Joto: 25 °C (1) ACD
logD 4.21 pH 6;Joto: 25 °C (1) ACD
logD 4.20 pH 7;Joto: 25 °C (1) ACD
logD 4.20 pH 8;Joto: 25 °C (1) ACD
logD 4.19 pH 9;Joto: 25 °C (1) ACD
logD 4.11 pH 10;Joto: 25 °C (1) ACD
logP 4.206±0.767 Joto: 25 °C (1) ACD
Umumunyifu wa Ndani wa Misa 1.7 x 10-4 g/L Joto: 25 °C (1) ACD
Umumunyifu wa Misa 2.0 x 10-4 g/L pH 1;Joto: 25 °C (1) ACD
Umumunyifu wa Misa 1.7 x 10-4 g/L pH 2;Joto: 25 °C (1) ACD
Umumunyifu wa Misa 1.7 x 10-4 g/L pH 3;Joto: 25 °C (1) ACD
Umumunyifu wa Misa 1.7 x 10-4 g/L pH 4;Joto: 25 °C (1) ACD
Umumunyifu wa Misa 1.7 x 10-4 g/L pH 5;Joto: 25 °C (1) ACD
Umumunyifu wa Misa 1.7 x 10-4 g/L pH 6;Joto: 25 °C (1) ACD
Umumunyifu wa Misa 1.7 x 10-4 g/L pH 7;Joto: 25 °C (1) ACD
Umumunyifu wa Misa 1.7 x 10-4 g/L pH 8;Joto: 25 °C (1) ACD
Umumunyifu wa Misa 1.7 x 10-4 g/L pH 9;Joto: 25 °C (1) ACD
Umumunyifu wa Misa 2.1 x 10-4 g/L pH 10;Joto: 25 °C (1) ACD
Umumunyifu wa Misa 1.7 x 10-4 g/L Maji yasiyo na buffered pH 7.00;Joto: 25 °C (1) ACD
Umumunyifu wa Ndani wa Molar 2.9 x 10-7 mol/L Joto: 25 °C (1) ACD
Umumunyifu wa Molar 3.3 x 10-7 mol/L pH 1;Joto: 25 °C (1) ACD
Umumunyifu wa Molar 2.9 x 10-7 mol/L pH 2;Joto: 25 °C (1) ACD
Umumunyifu wa Molar 2.9 x 10-7 mol/L pH 3;Joto: 25 °C (1) ACD
Umumunyifu wa Molar 2.9 x 10-7 mol/L pH 4;Joto: 25 °C (1) ACD

 

Mali Thamani Hali Chanzo
Umumunyifu wa Molar 2.9 x 10-7 mol/L pH 5;Joto: 25 °C (1) ACD
Umumunyifu wa Molar 2.9 x 10-7 mol/L pH 6;Joto: 25 °C (1) ACD
Umumunyifu wa Molar 2.9 x 10-7 mol/L pH 7;Joto: 25 °C (1) ACD
Umumunyifu wa Molar 2.9 x 10-7 mol/L pH 8;Joto: 25 °C (1) ACD
Umumunyifu wa Molar 2.9 x 10-7 mol/L pH 9;Joto: 25 °C (1) ACD
Umumunyifu wa Molar 3.5 x 10-7 mol/L pH 10;Joto: 25 °C (1) ACD
Umumunyifu wa Molar 2.9 x 10-7 mol/L Maji yasiyo na buffered pH 7.00;Joto: 25 °C (1) ACD
Uzito wa Masi 601.69    
pKa 10.63±0.46 Halijoto ya Asidi Zaidi: 25 °C (1) ACD
pKa 0.13±0.50 Joto la Msingi Zaidi: 25 °C (1) ACD
Shinikizo la Mvuke 0 Tor 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 1.276±0.06 g/cm3 Joto: 20 ° C;Bonyeza: 760 Torr (1) ACD
Kiasi cha Molar 471.2±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 15   (1) ACD
H Wakubali 11   (1) ACD
H Wafadhili 7   (1) ACD
H Jumla ya Mfadhili/Mpokeaji 18   (1) ACD
logP 4.206±0.767 Joto: 25 °C (1) ACD
Uzito wa Masi 601.69    

(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 172 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 914.2±65.0 °C Bonyeza: 760 Torr (1) ACD
Enthalpy ya vaporization 139.25±3.0 kJ/mol Bonyeza: 760 Torr (1) ACD
Kiwango cha Kiwango 506.7±34.3 °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


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