L-ornithinamide, L-Valyl-N5- (AmanoRadbonyl) P319, H319, H315, H315, H315, H32
ʻO nā waiwai pilikino | Waiwai | Kauoha |
Kaupaona molebular | 379.45 | - |
Ka hanaʻana (wānana) | 715.0 ± 60.0 ° C | E kaomi: 760 Torr |
Density (wānana) | 1.243 ± 0.06 0 c / cm3 | Temp: 20 ° C; E kaomi: 760 Torr |
PKA (wānana) | 13.75 ± 0.46 | Nui loa acidic temp: 25 ° C |
Canonical smiles o = c (n) ncccc (nc (= o) c (n) n c (c = c1) c1) co
Isomeric mint
Iachi
Inchi = 1s / c18h29n5n5 / c1-,9-,9-,5-13-9-,5-13-9-,5-13-13-13-13-13-13-13-13-9-,5-13 H2,-2H3, (H, 22,25) (h, 28,26) (H3,2,4)
Inchi kī
Wingtwzuzmhy-gjzgrulsasa-n
4ʻO nā inoa'ē aʻe no kēia mea
L-vallyl-N5- (AminocarbonyL) -N- [4- (hydroxxymyl) phenyl] -l-ornithnidemide (Aci); 1: PN: WN20230612202224ʻAoʻao: 34 E kiʻiʻia Valine-citrolline-p-Inobenbenzenzeate; Vc-pab
Loaʻa nā waiwai |
Loea |
Kekau |
Huakai |
Lipinski |
Pili pū ka piliʻana |
Thermal |
Loea
Waiwai | Waiwai | Kauoha | Kumu |
Pūnaehana Pūnaewele | 1.0 | pH 1; Temp: 25 ° C | (1) acd |
Pūnaehana Pūnaewele | 1.0 | PH 2; Temp: 25 ° C | (1) acd |
Pūnaehana Pūnaewele | 1.0 | pH 3; Temp: 25 ° C | (1) acd |
Pūnaehana Pūnaewele | 1.0 | PH 4; Temp: 25 ° C | (1) acd |
Pūnaehana Pūnaewele | 1.0 | pH 5; Temp: 25 ° C | (1) acd |
Pūnaehana Pūnaewele | 1.0 | ph 6; Temp: 25 ° C | (1) acd |
Pūnaehana Pūnaewele | 1.0 | ph 7; Temp: 25 ° C | (1) acd |
Pūnaehana Pūnaewele | 1.0 | pH 8; Temp: 25 ° C | (1) acd |
Pūnaehana Pūnaewele | 1.0 | pH 9; Temp: 25 ° C | (1) acd |
Pūnaehana Pūnaewele | 1.0 | PH 10; Temp: 25 ° C | (1) acd |
(1) heluʻia me ka hoʻohanaʻana i ka hoʻomohalaʻana i ka lāʻau lapaʻau
Kekau
Waiwai | Waiwai | Kauoha | Kumu |
Koc | 1.0 | pH 1; Temp: 25 ° C | (1) acd |
Koc | 1.0 | PH 2; Temp: 25 ° C | (1) acd |
Koc | 1.0 | pH 3; Temp: 25 ° C | (1) acd |
Koc | 1.0 | PH 4; Temp: 25 ° C | (1) acd |
Koc | 1.0 | pH 5; Temp: 25 ° C | (1) acd |
Koc | 1.0 | ph 6; Temp: 25 ° C | (1) acd |
Koc | 1.0 | ph 7; Temp: 25 ° C | (1) acd |
Koc | 6.00 | pH 8; Temp: 25 ° C | (1) acd |
Koc | 13.2 | pH 9; Temp: 25 ° C | (1) acd |
Koc | 15.0 | PH 10; Temp: 25 ° C | (1) acd |
Waiwai | Waiwai | Kauoha | Kumu |
Kākau | -3.53 | pH 1; Temp: 25 ° C | (1) acd |
Kākau | -3.46 | PH 2; Temp: 25 ° C | (1) acd |
Kākau | -3.45 | pH 3; Temp: 25 ° C | (1) acd |
Kākau | -3.42 | PH 4; Temp: 25 ° C | (1) acd |
Kākau | -3.20 | pH 5; Temp: 25 ° C | (1) acd |
Kākau | -2.50 | ph 6; Temp: 25 ° C | (1) acd |
Kākau | -1.57 | ph 7; Temp: 25 ° C | (1) acd |
Kākau | -0.76 | pH 8; Temp: 25 ° C | (1) acd |
Kākau | -0.42 | pH 9; Temp: 25 ° C | (1) acd |
Kākau | -0.36 | PH 10; Temp: 25 ° C | (1) acd |
LOGP | -0.354 ± 0.602 | Temp: 25 ° C | (1) acd |
ʻO ka solubilitic intrinsic | 1.6 g / l | Temp: 25 ° C | (1) acd |
ʻO ka hopena nui | 1000 g / l | pH 1; Temp: 25 ° C | (1) acd |
ʻO ka hopena nui | 1000 g / l | PH 2; Temp: 25 ° C | (1) acd |
ʻO ka hopena nui | 1000 g / l | pH 3; Temp: 25 ° C | (1) acd |
ʻO ka hopena nui | 1000 g / l | PH 4; Temp: 25 ° C | (1) acd |
ʻO ka hopena nui | 1000 g / l | pH 5; Temp: 25 ° C | (1) acd |
ʻO ka hopena nui | 220 G / l | ph 6; Temp: 25 ° C | (1) acd |
ʻO ka hopena nui | 26 g / l | ph 7; Temp: 25 ° C | (1) acd |
ʻO ka hopena nui | 4.2 g / l | pH 8; Temp: 25 ° C | (1) acd |
ʻO ka hopena nui | 1.9 g / l | pH 9; Temp: 25 ° C | (1) acd |
ʻO ka hopena nui | 1.6 g / l | PH 10; Temp: 25 ° C | (1) acd |
ʻO ka hopena nui | 1.6 g / l | ʻO ka waiʻole i ka wai ph 9.89; Temp: 25 ° C | (1) acd |
Molala intrinsic repubility | 4.2 x 10-3 mol / l | Temp: 25 ° C | (1) acd |
Mlagerliility | 2.64 mol / l | pH 1; Temp: 25 ° C | (1) acd |
Mlagerliility | 2.64 mol / l | PH 2; Temp: 25 ° C | (1) acd |
Mlagerliility | 2.64 mol / l | pH 3; Temp: 25 ° C | (1) acd |
Mlagerliility | 2.64 mol / l | PH 4; Temp: 25 ° C | (1) acd |
Mlagerliility | 2.64 mol / l | pH 5; Temp: 25 ° C | (1) acd |
Mlagerliility | 0.59 mol / l | ph 6; Temp: 25 ° C | (1) acd |
Mlagerliility | 0,069 mol / l | ph 7; Temp: 25 ° C | (1) acd |
Mlagerliility | 0,011 mol / l | pH 8; Temp: 25 ° C | (1) acd |
Waiwai | Waiwai | Kauoha | Kumu |
Mlagerliility | 4.9 x 10-3 mol / l | pH 9; Temp: 25 ° C | (1) acd |
Mlagerliility | 4.3 x 10-3 mol / l | PH 10; Temp: 25 ° C | (1) acd |
Mlagerliility | 4.3 x 10-3 mol / l | ʻO ka waiʻole i ka wai ph 9.89; Temp: 25 ° C | (1) acd |
Kaupaona molebular | 379.45 | ||
pka | 13.75 ± 0.46 | Nui loa acidic temp: 25 ° C | (1) acd |
pka | 8.19 ± 0.33 | ʻO ka hapa nui o ka temp: 25 ° C | (1) acd |
Ke kaomi kino | 1.86 x 10-21 Torr | Temp: 25 ° C | (1) acd |
(1) heluʻia me ka hoʻohanaʻana i ka hoʻomohalaʻana i ka lāʻau lapaʻau
Huakai
Waiwai | Waiwai | Kauoha | Kumu |
Huakai | 1.243 ± 0.06 0 c / cm3 | Temp: 20 ° C; E kaomi: 760 Torr | (1) acd |
Mlar lang | 305.2 ± 3.0 cm3 / mol | Temp: 20 ° C; E kaomi: 760 Torr | (1) acd |
(1) heluʻia me ka hoʻohanaʻana i ka hoʻomohalaʻana i ka lāʻau lapaʻau
Lipinski
Waiwai | Waiwai | Kauoha | Kumu |
Nā mea paʻa paʻa | 12 | (1) acd | |
Hcceptors | 9 | (1) acd | |
H donors | 8 | (1) acd | |
H hāʻawi /ʻaeʻia ka loaʻa kālā | 17 | (1) acd | |
LOGP | -0.354 ± 0.602 | Temp: 25 ° C | (1) acd |
Kaupaona molebular | 379.45 |
(1) heluʻia me ka hoʻohanaʻana i ka hoʻomohalaʻana i ka lāʻau lapaʻau
Pili pū ka piliʻana
Waiwai | Waiwai | Kauoha | Kumu |
Wahi wahi papa | 160 a2 | (1) acd |
(1) heluʻia me ka hoʻohanaʻana i ka hoʻomohalaʻana i ka lāʻau lapaʻau
Thermal
Waiwai | Waiwai | Kauoha | Kumu |
Makaʻikua | 715.0 ± 60.0 ° C | E kaomi: 760 Torr | (1) acd |
E komo i ka Vaporization | 109.72 ± 3.0 kj / mol | E kaomi: 760 Torr | (1) acd |
Polout Flall | 386.2 ± 32.9 ° C | (1) acd |
(1) heluʻia me ka hoʻohanaʻana i ka hoʻomohalaʻana i ka lāʻau lapaʻau
Specpe i Loa
1H NMR
13c nmr
'Apili | Hōʻikeʻike | Kumu |
H335 | E hōʻeha paha i ka huhū hanu | ʻO kaʻoihana Kūʻai Kūʻai Nui |
H219 | E hōʻeha i ka huhū maka | ʻO kaʻoihana Kūʻai Kūʻai Nui |
H315 | E hōʻeha ana i ka huhūʻili | ʻO kaʻoihana Kūʻai Kūʻai Nui |
H302 | Hanaʻino inā i make | ʻO kaʻoihana Kūʻai Kūʻai Nui |