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

Taarifa za Msingi:

Tutumie barua pepe

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)33-8-7-7 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

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

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

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

Kuhusiana na Muundo

Mali	Thamani	Hali	Chanzo
Eneo la Uso wa Polar	172 A2	(1) ACD

Joto

Mali	Thamani	Hali	Chanzo
Kiwango cha kuchemsha	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