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L-Ornithinamide, L-Valyly, N5- (Aminocarbonyl) -n- [4- (hydroxymethyl) Phenyl] - (9CI, ACI) H335, H319, H315, H302,
| Key physica proprietatibus | Valor | Conditio |
| Pondus | 379.45 | - |
| Ferveret (praedicta) | 715.0 ± 60.0 ° C | Press: DCCLX Torr |
| Density (praedicta) | 1.243 ± 0.06 G / CM3 | Temp: XX ° C; Press: DCCLX Torr |
| Pka (praedicta) | 13.75 ± 0.46 | Most Acidic Temp: XXV ° C |
Canonica risum ridet o = c (n) NCCC (NC (= o) C (n) c (c) c (= o) c1 = c (c = c1) co =
Isomeric [C @@] (NC ([C @ h] (c (c) c) cc = c (co) c = c1) = o) = c (n) = o)
INCHI
Inchi = 1s / c18h29n5o4 / c1-11 (II) XV (XIX) XVII (XXVI) 23-14 (4-3-9-21-18 (XX) XXVII) XVI (XXV) 22-13-7-5-12 (10-24) 6-8-13 / H5-8,11.114-15,24H, 3-4,9-10,19 (10-24) 6-8-13 / H5-8,11.114-15,24H, 3-4,9-10,19 (10-24) 6-8-13 / H5-8,11.114-15,24H, 3-4,9-10,19 (10-24) 6-8-13 / H5-8,11.114-15,24H, 3-4,9-10,19 (10-24) 6-8-13 / H5-8,11.114-15,24H, 3-4,9-10,19 H2,1-2H3, (h, 22,25), (II, 23,26) (H3,20,21,27) / T14-, 15- / M0 / S1
Key Inchi
Veggtwzuzgzkhy, gjzgruslsa, n
IV alia nomina huius substantiae
L-VALYL-N5 (aminocarbonyl) -N- [4 (hydroxymethyl) Phenyl] -l -l -l (aci); I: PN: Wo2023061224 Page: XXXIV petita sequence; Valine-Citrulline-p-Aminobenzylcarbamate; VC-Pab
| Proprietatibus praesto |
| Biological |
| Proiectus |
| Densitas |
| Lipinski |
| Structuram related |
| Scelerum |
Biological
| Res | Valor | Conditio | Fons |
| Bioconcentration factor | 1.0 | PH I; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | 1.0 | PH II; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | 1.0 | PH III; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | 1.0 | PH IV; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | 1.0 | PH V; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | 1.0 | Ph VI; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | 1.0 | PH VII; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | 1.0 | PH VIII; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | 1.0 | PH IX; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | 1.0 | PH X; Temp: XXV ° C | (I) ACD |
(I) Calculus in ratione progressionem progressionem (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Proiectus
| Res | Valor | Conditio | Fons |
| Koc | 1.0 | PH I; Temp: XXV ° C | (I) ACD |
| Koc | 1.0 | PH II; Temp: XXV ° C | (I) ACD |
| Koc | 1.0 | PH III; Temp: XXV ° C | (I) ACD |
| Koc | 1.0 | PH IV; Temp: XXV ° C | (I) ACD |
| Koc | 1.0 | PH V; Temp: XXV ° C | (I) ACD |
| Koc | 1.0 | Ph VI; Temp: XXV ° C | (I) ACD |
| Koc | 1.0 | PH VII; Temp: XXV ° C | (I) ACD |
| Koc | 6.00 | PH VIII; Temp: XXV ° C | (I) ACD |
| Koc | 13,2 | PH IX; Temp: XXV ° C | (I) ACD |
| Koc | 15.0 | PH X; Temp: XXV ° C | (I) ACD |
| Res | Valor | Conditio | Fons |
| logd | -3.53 | PH I; Temp: XXV ° C | (I) ACD |
| logd | -3.46 | PH II; Temp: XXV ° C | (I) ACD |
| logd | -3.45 | PH III; Temp: XXV ° C | (I) ACD |
| logd | -3.42 | PH IV; Temp: XXV ° C | (I) ACD |
| logd | -3.20 | PH V; Temp: XXV ° C | (I) ACD |
| logd | -2.50 | Ph VI; Temp: XXV ° C | (I) ACD |
| logd | -1.57 | PH VII; Temp: XXV ° C | (I) ACD |
| logd | -0.76 | PH VIII; Temp: XXV ° C | (I) ACD |
| logd | -0.42 | PH IX; Temp: XXV ° C | (I) ACD |
| logd | -0.36 | PH X; Temp: XXV ° C | (I) ACD |
| logp | -0.354 ± 0.602 | Temp: XXV ° C | (I) ACD |
| Missam intrinsecam solubility | 1.6 g / l | Temp: XXV ° C | (I) ACD |
| Missam solubility | M g / l | PH I; Temp: XXV ° C | (I) ACD |
| Missam solubility | M g / l | PH II; Temp: XXV ° C | (I) ACD |
| Missam solubility | M g / l | PH III; Temp: XXV ° C | (I) ACD |
| Missam solubility | M g / l | PH IV; Temp: XXV ° C | (I) ACD |
| Missam solubility | M g / l | PH V; Temp: XXV ° C | (I) ACD |
| Missam solubility | CCXX g / l | Ph VI; Temp: XXV ° C | (I) ACD |
| Missam solubility | XXVI g / l | PH VII; Temp: XXV ° C | (I) ACD |
| Missam solubility | 4.2 g / l | PH VIII; Temp: XXV ° C | (I) ACD |
| Missam solubility | 1.9 g / l | PH IX; Temp: XXV ° C | (I) ACD |
| Missam solubility | 1.6 g / l | PH X; Temp: XXV ° C | (I) ACD |
| Missam solubility | 1.6 g / l | Unbuffered aqua 9.89; Temp: XXV ° C | (I) ACD |
| Molaris intrinsecam solubility | X 10-3 Mol / l | Temp: XXV ° C | (I) ACD |
| Molaris solubility | Mol 2.64 / l | PH I; Temp: XXV ° C | (I) ACD |
| Molaris solubility | Mol 2.64 / l | PH II; Temp: XXV ° C | (I) ACD |
| Molaris solubility | Mol 2.64 / l | PH III; Temp: XXV ° C | (I) ACD |
| Molaris solubility | Mol 2.64 / l | PH IV; Temp: XXV ° C | (I) ACD |
| Molaris solubility | Mol 2.64 / l | PH V; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 0,59 Mol / l | Ph VI; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 0.069 MOL / l | PH VII; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 0.011 MOL / l | PH VIII; Temp: XXV ° C | (I) ACD |
| Res | Valor | Conditio | Fons |
| Molaris solubility | 10-3 10-3 Mol / l | PH IX; Temp: XXV ° C | (I) ACD |
| Molaris solubility | X 4.3 10-3 Mol / l | PH X; Temp: XXV ° C | (I) ACD |
| Molaris solubility | X 4.3 10-3 Mol / l | Unbuffered aqua 9.89; Temp: XXV ° C | (I) ACD |
| Pondus | 379.45 | ||
| PKA | 13.75 ± 0.46 | Most Acidic Temp: XXV ° C | (I) ACD |
| PKA | 8.19 ± 0.33 | Maxime basic temp: XXV ° | (I) ACD |
| Vapor | 1.86 X 10-21 Torr | Temp: XXV ° C | (I) ACD |
(I) Calculus in ratione progressionem progressionem (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Densitas
| Res | Valor | Conditio | Fons |
| Densitas | 1.243 ± 0.06 G / CM3 | Temp: XX ° C; Press: DCCLX Torr | (I) ACD |
| Molaris volumine | 305.2 ± 3.0 cm3 / mol | Temp: XX ° C; Press: DCCLX Torr | (I) ACD |
(I) Calculus in ratione progressionem progressionem (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Lipinski
| Res | Valor | Conditio | Fons |
| Sponte Rotatable vincula | 12 | (I) ACD | |
| H acceptors | 9 | (I) ACD | |
| H donos | 8 | (I) ACD | |
| H donator / Acceptor Sum | 17 | (I) ACD | |
| logp | -0.354 ± 0.602 | Temp: XXV ° C | (I) ACD |
| Pondus | 379.45 |
(I) Calculus in ratione progressionem progressionem (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Structuram related
| Res | Valor | Conditio | Fons |
| Polar superficies regio | CLX A2 | (I) ACD | |
(I) Calculus in ratione progressionem progressionem (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Scelerum
| Res | Valor | Conditio | Fons |
| PRAETERITUS | 715.0 ± 60.0 ° C | Press: DCCLX Torr | (I) ACD |
| Enthalpy vaporation | 109.72 ± 3.0 KJ / mol | Press: DCCLX Torr | (I) ACD |
| Flash Point | 386.2 ± 32.9 ° C | (I) ACD |
(I) Calculus in ratione progressionem progressionem (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Spectra praesto
1h NMR
13c NMR
| Codex | Aleam dicitur | Fons |
| H335 | Sit causa respiratorii irritatio | Europae chemical Agency (ECA) Classification & Labeling Inventory - Notified Classification et Labeling - Most Clementine_Vulgate Vicimediorum Communium, European Chemical Agency (ECA) Classification & Labeling - Notified Classification and Labeling - Notifications Ordo - Most Suspendisse notifications - Most Suspendisse - Notifications |
| H319 | Causa gravis oculus irritatio | Europae chemical Agency (ECA) Classification & Labeling Inventory - Notified Classification et Labeling - Most Clementine_Vulgate Vicimediorum Communium, European Chemical Agency (ECA) Classification & Labeling - Notified Classification and Labeling - Notifications Ordo - Most Suspendisse notifications - Most Suspendisse - Notifications |
| H315 | Causas cutis irritatio | Europae chemical Agency (ECA) Classification & Labeling Inventory - Notified Classification et Labeling - Most Clementine_Vulgate Vicimediorum Communium, European Chemical Agency (ECA) Classification & Labeling - Notified Classification and Labeling - Notifications Ordo - Most Suspendisse notifications - Most Suspendisse - Notifications |
| H302 | Nocivis, si absorbuit | Europae chemical Agency (ECA) Classification & Labeling Inventory - Notified Classification et Labeling - Most Clementine_Vulgate Vicimediorum Communium, European Chemical Agency (ECA) Classification & Labeling - Notified Classification and Labeling - Notifications Ordo - Most Suspendisse notifications - Most Suspendisse - Notifications |
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