C33H39N5O6 L-Ornithinamide, N - [(9h-Fluoren-IX-ylmethoxy) Carbony] -L-VOLYL-N5- (Aminocarbonyl) -n- [4CI (9CI, ACI) Featured Image

C33H39N5O6 L-Ornithinamide, N - [(9H-Fluoren-IX-ylmethoxy) Carbony] -L-VOLYL-N5- (Aminocarbonyl) -L- [4CI (9CI, ACI)

Basic Information:

Mitte inscriptio nobis

Product Detail

Product Tags

Physica proprietatibus

Key physica proprietatibus	Valor	Conditio
Pondus	601,69	-
Ferveret (praedicta)	914.2 ± 65.0 ° C	Press: DCCLX Torr
Density (praedicta)	1.276 ± 0.06 G / CM3	Temp: XX ° C; Press: DCCLX Torr
Pka (praedicta)	10.63 ± 0.46	Most Acidic Temp: XXV ° C

Alia nomina et identifiers

Canonica risum dat o = c (= cc = cc = cc = cc cc = cc31) NC (C (= o) C (C = o) C.) C (C) C) 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 (II) XXIX (38-33 (XLIII) 44-19-27-25-10-5-3-8-23 (XXV) 24-9-4-6-11-26 (XXIV) XXVII) XXXI (XLI) 37-28 (12-7-35 XXXII (XXXIV) XLII) XXX (XL) 36-22-15-13-21 (18-39) 14-16-22 / H3-6,8-11,13-16,20,27-29,39H, 7,12,17-19H2,20,20,27,39H, 7,12,17-19H2,1-2H3 (H, 36,40) (H, 37,4,3 (H, 38,43) (H3,34,3 (H, 37,43) (H3,34,3 (H, 38,43) (H3,34,3 (H, 38,43) (H3,34,30 (H, 37,43) (H3,34,3 (H, 38,43) (H3,34,3 (H, 38,43) (H3,34,3 (H, 38,43) (H3,34,3.
5,42) / T28-, 29- / M0 / S1
Key Inchi
Dalmazhdnfcdrp, vmprefpwsa, n
I aliud nomen huius substantiae
N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-valyl-N5-(aminocarbonyl)-N-[4-(hydroxymethyl)phenyl]-L-ornithinamide (ACI)

Experimentalem spectra

Spectra praesto
1h NMR
13c NMR

Praedixit possessiones

Proprietatibus praesto

Biological

Proiectus

Densitas

Lipinski

Structuram related

Scelerum

Biological

Res	Valor	Conditio	Fons
Bioconcentration factor	DCCCIX	PH I; Temp: XXV ° C	(I) ACD
Bioconcentration factor	CMXII	PH II; Temp: XXV ° C	(I) ACD
Bioconcentration factor	CMXXIII	PH III; Temp: XXV ° C	(I) ACD
Bioconcentration factor	CMXXIV	PH IV; Temp: XXV ° C	(I) ACD
Bioconcentration factor	CMXXIV	PH V; Temp: XXV ° C	(I) ACD
Bioconcentration factor	CMXXIV	Ph VI; Temp: XXV ° C	(I) ACD
Bioconcentration factor	CMXXIV	PH VII; Temp: XXV ° C	(I) ACD
Bioconcentration factor	CMXXII	PH VIII; Temp: XXV ° C	(I) ACD
Bioconcentration factor	CMIII	PH IX; Temp: XXV ° C	(I) ACD
Bioconcentration factor	DCCL	PH X; Temp: XXV ° C	(I) ACD

Proiectus

Res	Valor	Conditio	Fons
Koc	(IV) XL	PH I; Temp: XXV ° C	(I) ACD
Koc	(IV) DL	PH II; Temp: XXV ° C	(I) ACD
Koc	(IV) DCX	PH III; Temp: XXV ° C	(I) ACD
Koc	(IV) DCXX	PH IV; Temp: XXV ° C	(I) ACD
Koc	(IV) DCXX	PH V; Temp: XXV ° C	(I) ACD
Koc	(IV) DCXX	Ph VI; Temp: XXV ° C	(I) ACD

Res	Valor	Conditio	Fons
Koc	(IV) DCXX	PH VII; Temp: XXV ° C	(I) ACD
Koc	(IV) DCX	PH VIII; Temp: XXV ° C	(I) ACD
Koc	(IV) DX	PH IX; Temp: XXV ° C	(I) ACD
Koc	MMMDCCXL	PH X; Temp: XXV ° C	(I) ACD
logd	4.15	PH I; Temp: XXV ° C	(I) ACD
logd	4.20	PH II; Temp: XXV ° C	(I) ACD
logd	4.20	PH III; Temp: XXV ° C	(I) ACD
logd	4.20	PH IV; Temp: XXV ° C	(I) ACD
logd	4.21	PH V; Temp: XXV ° C	(I) ACD
logd	4.21	Ph VI; Temp: XXV ° C	(I) ACD
logd	4.20	PH VII; Temp: XXV ° C	(I) ACD
logd	4.20	PH VIII; Temp: XXV ° C	(I) ACD
logd	4.19	PH IX; Temp: XXV ° C	(I) ACD
logd	4.11	PH X; Temp: XXV ° C	(I) ACD
logp	4.206 ± 0.767	Temp: XXV ° C	(I) ACD
Missam intrinsecam solubility	1.7 X 10-4 g / l	Temp: XXV ° C	(I) ACD
Missam solubility	2.0 X 10-4 g / l	PH I; Temp: XXV ° C	(I) ACD
Missam solubility	1.7 X 10-4 g / l	PH II; Temp: XXV ° C	(I) ACD
Missam solubility	1.7 X 10-4 g / l	PH III; Temp: XXV ° C	(I) ACD
Missam solubility	1.7 X 10-4 g / l	PH IV; Temp: XXV ° C	(I) ACD
Missam solubility	1.7 X 10-4 g / l	PH V; Temp: XXV ° C	(I) ACD
Missam solubility	1.7 X 10-4 g / l	Ph VI; Temp: XXV ° C	(I) ACD
Missam solubility	1.7 X 10-4 g / l	PH VII; Temp: XXV ° C	(I) ACD
Missam solubility	1.7 X 10-4 g / l	PH VIII; Temp: XXV ° C	(I) ACD
Missam solubility	1.7 X 10-4 g / l	PH IX; Temp: XXV ° C	(I) ACD
Missam solubility	2.1 x 10-4 g / l	PH X; Temp: XXV ° C	(I) ACD
Missam solubility	1.7 X 10-4 g / l	Unbuffered aqua PH 7.00; Temp: XXV ° C	(I) ACD
Molaris intrinsecam solubility	2.9 x 10-7 Mol / l	Temp: XXV ° C	(I) ACD
Molaris solubility	3,3 x 10-7 Mol / l	PH I; Temp: XXV ° C	(I) ACD
Molaris solubility	2.9 x 10-7 Mol / l	PH II; Temp: XXV ° C	(I) ACD
Molaris solubility	2.9 x 10-7 Mol / l	PH III; Temp: XXV ° C	(I) ACD
Molaris solubility	2.9 x 10-7 Mol / l	PH IV; Temp: XXV ° C	(I) ACD

Res	Valor	Conditio	Fons
Molaris solubility	2.9 x 10-7 Mol / l	PH V; Temp: XXV ° C	(I) ACD
Molaris solubility	2.9 x 10-7 Mol / l	Ph VI; Temp: XXV ° C	(I) ACD
Molaris solubility	2.9 x 10-7 Mol / l	PH VII; Temp: XXV ° C	(I) ACD
Molaris solubility	2.9 x 10-7 Mol / l	PH VIII; Temp: XXV ° C	(I) ACD
Molaris solubility	2.9 x 10-7 Mol / l	PH IX; Temp: XXV ° C	(I) ACD
Molaris solubility	10-7 Mol X 3.5 / l	PH X; Temp: XXV ° C	(I) ACD
Molaris solubility	2.9 x 10-7 Mol / l	Unbuffered aqua PH 7.00; Temp: XXV ° C	(I) ACD
Pondus	601,69
PKA	10.63 ± 0.46	Most Acidic Temp: XXV ° C	(I) ACD
PKA	0.13 ± 0.50	Maxime basic temp: XXV °	(I) ACD
Vapor	0 Torr	Temp: XXV ° C	(I) ACD

Densitas

Res	Valor	Conditio	Fons
Densitas	1.276 ± 0.06 G / CM3	Temp: XX ° C; Press: DCCLX Torr	(I) ACD
Molaris volumine	471.2 ± 3.0 cm3 / mol	Temp: XX ° C; Press: DCCLX Torr	(I) ACD

Lipinski

Res	Valor	Conditio	Fons
Sponte Rotatable vincula	15		(I) ACD
H acceptors	11		(I) ACD
H donos	7		(I) ACD
H donator / Acceptor Sum	18		(I) ACD
logp	4.206 ± 0.767	Temp: XXV ° C	(I) ACD
Pondus	601,69

Structuram related

Res	Valor	Conditio	Fons
Polar superficies regio	CLXXII A2	(I) ACD

Scelerum

Res	Valor	Conditio	Fons
PRAETERITUS	914.2 ± 65.0 ° C	Press: DCCLX Torr	(I) ACD
Enthalpy vaporation	139,25 ± 3.0 KJ / Mol	Press: DCCLX Torr	(I) ACD
Flash Point	506.7 ± 34.3 ° C		(I) ACD