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

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Njirimara anụ ahụ

Njirimara anụ ahụ igodo	Uru	Ọnọdụ
Ibu molekụla	601.69	-
Ebe a na-esi esi esi (buru amụma)	914.2± 65.0 Celsius	Pịa: 760 Torr
Njupụta (buru amụma)	1.276±0.06 g/cm3	Okpomọkụ: 20 °C;Pịa: 760 Torr
pKa (buru amụma)	10.63± 0.46	Okpomọkụ kachasị acidic: 25 Celsius

Aha ndị ọzọ na njirimara

Canonical SMILES 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)CCCCNC(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
InChi Igodo
DALMAZHDNFCDRP-VMPREFPWSA-N
1 Aha ọzọ maka ihe a
N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-valyl-N5- (aminocarbonyl) -N-[4- (hydroxymethyl) phenyl] -L-ornithinamide (ACI)

Spectra nnwale

Spectra dị
1H NMR
13C NMR

Njirimara amụma

Ngwongwo dị

Usoro ndu

Chemical

Njupụta

Lipinski

Ọdịdị metụtara

Thermal

Usoro ndu

Ngwongwo	Uru	Ọnọdụ	Isi mmalite
Ihe kpatara bioconcentration	809	pH 1;Okpomọkụ: 25 Celsius C	(1) ACD
Ihe kpatara bioconcentration	912	pH 2;Okpomọkụ: 25 Celsius C	(1) ACD
Ihe kpatara bioconcentration	923	pH 3;Okpomọkụ: 25 Celsius C	(1) ACD
Ihe kpatara bioconcentration	924	pH 4;Okpomọkụ: 25 Celsius C	(1) ACD
Ihe kpatara bioconcentration	924	pH 5;Okpomọkụ: 25 Celsius C	(1) ACD
Ihe kpatara bioconcentration	924	pH 6;Okpomọkụ: 25 Celsius C	(1) ACD
Ihe kpatara bioconcentration	924	pH 7;Okpomọkụ: 25 Celsius C	(1) ACD
Ihe kpatara bioconcentration	922	pH 8;Okpomọkụ: 25 Celsius C	(1) ACD
Ihe kpatara bioconcentration	903	pH 9;Okpomọkụ: 25 Celsius C	(1) ACD
Ihe kpatara bioconcentration	750	pH 10;Okpomọkụ: 25 Celsius C	(1) ACD

Chemical

Ngwongwo	Uru	Ọnọdụ	Isi mmalite
Koc	4040	pH 1;Okpomọkụ: 25 Celsius C	(1) ACD
Koc	4550	pH 2;Okpomọkụ: 25 Celsius C	(1) ACD
Koc	4610	pH 3;Okpomọkụ: 25 Celsius C	(1) ACD
Koc	4620	pH 4;Okpomọkụ: 25 Celsius C	(1) ACD
Koc	4620	pH 5;Okpomọkụ: 25 Celsius C	(1) ACD
Koc	4620	pH 6;Okpomọkụ: 25 Celsius C	(1) ACD

Ngwongwo	Uru	Ọnọdụ	Isi mmalite
Koc	4620	pH 7;Okpomọkụ: 25 Celsius C	(1) ACD
Koc	4610	pH 8;Okpomọkụ: 25 Celsius C	(1) ACD
Koc	4510	pH 9;Okpomọkụ: 25 Celsius C	(1) ACD
Koc	3740	pH 10;Okpomọkụ: 25 Celsius C	(1) ACD
logD	4.15	pH 1;Okpomọkụ: 25 Celsius C	(1) ACD
logD	4.20	pH 2;Okpomọkụ: 25 Celsius C	(1) ACD
logD	4.20	pH 3;Okpomọkụ: 25 Celsius C	(1) ACD
logD	4.20	pH 4;Okpomọkụ: 25 Celsius C	(1) ACD
logD	4.21	pH 5;Okpomọkụ: 25 Celsius C	(1) ACD
logD	4.21	pH 6;Okpomọkụ: 25 Celsius C	(1) ACD
logD	4.20	pH 7;Okpomọkụ: 25 Celsius C	(1) ACD
logD	4.20	pH 8;Okpomọkụ: 25 Celsius C	(1) ACD
logD	4.19	pH 9;Okpomọkụ: 25 Celsius C	(1) ACD
logD	4.11	pH 10;Okpomọkụ: 25 Celsius C	(1) ACD
logP	4.206± 0.767	Okpomọkụ: 25 Celsius C	(1) ACD
Ọkachamara Solubility dị n'ime	1.7 x 10-4 g/L	Okpomọkụ: 25 Celsius C	(1) ACD
Uka Solubility	2.0 x 10-4 g/L	pH 1;Okpomọkụ: 25 Celsius C	(1) ACD
Uka Solubility	1.7 x 10-4 g/L	pH 2;Okpomọkụ: 25 Celsius C	(1) ACD
Uka Solubility	1.7 x 10-4 g/L	pH 3;Okpomọkụ: 25 Celsius C	(1) ACD
Uka Solubility	1.7 x 10-4 g/L	pH 4;Okpomọkụ: 25 Celsius C	(1) ACD
Uka Solubility	1.7 x 10-4 g/L	pH 5;Okpomọkụ: 25 Celsius C	(1) ACD
Uka Solubility	1.7 x 10-4 g/L	pH 6;Okpomọkụ: 25 Celsius C	(1) ACD
Uka Solubility	1.7 x 10-4 g/L	pH 7;Okpomọkụ: 25 Celsius C	(1) ACD
Uka Solubility	1.7 x 10-4 g/L	pH 8;Okpomọkụ: 25 Celsius C	(1) ACD
Uka Solubility	1.7 x 10-4 g/L	pH 9;Okpomọkụ: 25 Celsius C	(1) ACD
Uka Solubility	2.1 x 10-4 g/L	pH 10;Okpomọkụ: 25 Celsius C	(1) ACD
Uka Solubility	1.7 x 10-4 g/L	Mmiri na-enweghị atụ pH 7.00;Okpomọkụ: 25 Celsius C	(1) ACD
Solubility dị n'ime Molar	2.9 x 10-7 mol/L	Okpomọkụ: 25 Celsius C	(1) ACD
Solubility Molar	3.3 x 10-7 mol/L	pH 1;Okpomọkụ: 25 Celsius C	(1) ACD
Solubility Molar	2.9 x 10-7 mol/L	pH 2;Okpomọkụ: 25 Celsius C	(1) ACD
Solubility Molar	2.9 x 10-7 mol/L	pH 3;Okpomọkụ: 25 Celsius C	(1) ACD
Solubility Molar	2.9 x 10-7 mol/L	pH 4;Okpomọkụ: 25 Celsius C	(1) ACD

Ngwongwo	Uru	Ọnọdụ	Isi mmalite
Solubility Molar	2.9 x 10-7 mol/L	pH 5;Okpomọkụ: 25 Celsius C	(1) ACD
Solubility Molar	2.9 x 10-7 mol/L	pH 6;Okpomọkụ: 25 Celsius C	(1) ACD
Solubility Molar	2.9 x 10-7 mol/L	pH 7;Okpomọkụ: 25 Celsius C	(1) ACD
Solubility Molar	2.9 x 10-7 mol/L	pH 8;Okpomọkụ: 25 Celsius C	(1) ACD
Solubility Molar	2.9 x 10-7 mol/L	pH 9;Okpomọkụ: 25 Celsius C	(1) ACD
Solubility Molar	3.5 x 10-7 mol / l	pH 10;Okpomọkụ: 25 Celsius C	(1) ACD
Solubility Molar	2.9 x 10-7 mol/L	Mmiri na-enweghị atụ pH 7.00;Okpomọkụ: 25 Celsius C	(1) ACD
Ibu molekụla	601.69
pKa	10.63± 0.46	Okpomọkụ kachasị acidic: 25 Celsius	(1) ACD
pKa	0.13 ± 0.50	Okpomọkụ kachasị mma: 25 Celsius	(1) ACD
Uzuoku Nrụgide	0 Torr	Okpomọkụ: 25 Celsius C	(1) ACD

Njupụta

Ngwongwo	Uru	Ọnọdụ	Isi mmalite
Njupụta	1.276±0.06 g/cm3	Okpomọkụ: 20 °C;Pịa: 760 Torr	(1) ACD
Olu Molar	471.2± 3.0 cm3 / mol	Okpomọkụ: 20 °C;Pịa: 760 Torr	(1) ACD

Lipinski

Ngwongwo	Uru	Ọnọdụ	Isi mmalite
Nkwekọrịta na-agbanwe agbanwe n'efu	15		(1) ACD
H Ndị nnabata	11		(1) ACD
H Ndị na-enye onyinye	7		(1) ACD
H Donor/Anabata Nchikota	18		(1) ACD
logP	4.206± 0.767	Okpomọkụ: 25 Celsius C	(1) ACD
Ibu molekụla	601.69

Ọdịdị metụtara

Ngwongwo	Uru	Ọnọdụ	Isi mmalite
Mpaghara elu elu	172 A2	(1) ACD

Thermal

Ngwongwo	Uru	Ọnọdụ	Isi mmalite
Ebe esi nri	914.2± 65.0 Celsius	Pịa: 760 Torr	(1) ACD
Enthalpy nke Vaporization	139.25± 3.0 kJ/mol	Pịa: 760 Torr	(1) ACD
Ebe mgbari	506.7±34.3 Celsius		(1) ACD