L-ornitithineide, l-vall-n5- (Aminocarbonyl) -n- [Hydroxymretl) Phenyl]

produk

L-ornitithineide, l-vall-n5- (Aminocarbonyl) -n- [Hydroxymretl) Phenyl]

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Pasipatan fisik

Sipat fisik konci Nilai Kaayaan
Beurat molekular 379.45 -
Titik ngagolak (diprediksi) 715.0 ± 60.0 ° C Pencét: 760 Torr
Kapadetan (diprediksi) 1.243 ± 0,06 g / cm3 Temp: 20 ° C; Pencét: 760 Torr
Pair (diprediksi) 13.75 ± 0,46 TEMP anu paling asam: 25 ° C

Ngaran sareng identifikasi

Canonical imut o = c (n) NCCCC (NC (= O) C (N) C (C) C) CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = c

Imomerik isomerik [c @@ h] (nc ([c @ h] (c (c) c)

Atchi

InChI=1S/C18H29N5O4/c1-11(2)15(19)17(26)23-14(4-3-9-21-18(20)27)16(25)22-13-7-5-12(10-24)6-8-13/h5-8,11,14-15,24H,3-4,9-10,19 H2,1-2h3, (H, 22,25) (H, 23,26) (H3,20,20,21,21) / S1

Konci inci

Veggtwzzuzzhy-gjzruslsa-n

4 ngaran séjén pikeun zat ieu

L-vall-N5- (Aminocarbonyl) -N- [4- (Hyroxym eklaksil) Phenyl] -lithinaminese (ACI); 1: PN: WO20206122224 halaman: 34 urutan anu ngaku Valin-citruline-p-Aminobyoobylcarate; Vc-pab

Diulalkeun sipat

Sipat sayogi
Biologis
Kimia
Perténaran
Lipinski
Struktur patali
Theresalia

Biologis

Harta Nilai Kaayaan Sumber
Faktor bioconcation 1.0 pH 1; Temp: 25 ° C (1) ACD
Faktor bioconcation 1.0 pH 2; Temp: 25 ° C (1) ACD
Faktor bioconcation 1.0 pH 3; Temp: 25 ° C (1) ACD
Faktor bioconcation 1.0 pH 4; Temp: 25 ° C (1) ACD
Faktor bioconcation 1.0 pH 5; Temp: 25 ° C (1) ACD
Faktor bioconcation 1.0 pH 6; Temp: 25 ° C (1) ACD
Faktor bioconcation 1.0 pH 7; Temp: 25 ° C (1) ACD
Faktor bioconcation 1.0 pH 8; Temp: 25 ° C (1) ACD
Faktor bioconcation 1.0 pH 9; Temp: 25 ° C (1) ACD
Faktor bioconcation 1.0 pH 10; Temp: 25 ° C (1) ACD

(1) Diitung nganggo pangembangan kimia maju (ACD / Lab) Software v11.02 (© 199-202 Acd / LCS)

Kimia

Harta Nilai Kaayaan Sumber
Kub 1.0 pH 1; Temp: 25 ° C (1) ACD
Kub 1.0 pH 2; Temp: 25 ° C (1) ACD
Kub 1.0 pH 3; Temp: 25 ° C (1) ACD
Kub 1.0 pH 4; Temp: 25 ° C (1) ACD
Kub 1.0 pH 5; Temp: 25 ° C (1) ACD
Kub 1.0 pH 6; Temp: 25 ° C (1) ACD
Kub 1.0 pH 7; Temp: 25 ° C (1) ACD
Kub 6,00 pH 8; Temp: 25 ° C (1) ACD
Kub 13.2 pH 9; Temp: 25 ° C (1) ACD
Kub 15.0 pH 10; Temp: 25 ° C (1) ACD

 

Harta Nilai Kaayaan Sumber
log As -3.53 pH 1; Temp: 25 ° C (1) ACD
log As -3.46 pH 2; Temp: 25 ° C (1) ACD
log As -3.45 pH 3; Temp: 25 ° C (1) ACD
log As -3.42 pH 4; Temp: 25 ° C (1) ACD
log As -3.20 pH 5; Temp: 25 ° C (1) ACD
log As -2.50 pH 6; Temp: 25 ° C (1) ACD
log As -1.57 pH 7; Temp: 25 ° C (1) ACD
log As -0.76 pH 8; Temp: 25 ° C (1) ACD
log As -0.42 pH 9; Temp: 25 ° C (1) ACD
log As -0.36 pH 10; Temp: 25 ° C (1) ACD
logp -0.354 ± 0,602 Temp: 25 ° C (1) ACD
Kebar intrinsik massic 1,6 g / l Temp: 25 ° C (1) ACD
Sahubat massa 1000 g / l pH 1; Temp: 25 ° C (1) ACD
Sahubat massa 1000 g / l pH 2; Temp: 25 ° C (1) ACD
Sahubat massa 1000 g / l pH 3; Temp: 25 ° C (1) ACD
Sahubat massa 1000 g / l pH 4; Temp: 25 ° C (1) ACD
Sahubat massa 1000 g / l pH 5; Temp: 25 ° C (1) ACD
Sahubat massa 220 g / l pH 6; Temp: 25 ° C (1) ACD
Sahubat massa 26 g / l pH 7; Temp: 25 ° C (1) ACD
Sahubat massa 4.2 g / l pH 8; Temp: 25 ° C (1) ACD
Sahubat massa 1,9 g / l pH 9; Temp: 25 ° C (1) ACD
Sahubat massa 1,6 g / l pH 10; Temp: 25 ° C (1) ACD
Sahubat massa 1,6 g / l Cai pH 9.89; Temp: 25 ° C (1) ACD
Kebar intrinsik molar 4.2 x 10-3 mol / l Temp: 25 ° C (1) ACD
Kahirupan molar 2.64 mol / l pH 1; Temp: 25 ° C (1) ACD
Kahirupan molar 2.64 mol / l pH 2; Temp: 25 ° C (1) ACD
Kahirupan molar 2.64 mol / l pH 3; Temp: 25 ° C (1) ACD
Kahirupan molar 2.64 mol / l pH 4; Temp: 25 ° C (1) ACD
Kahirupan molar 2.64 mol / l pH 5; Temp: 25 ° C (1) ACD
Kahirupan molar 0.59 mol / l pH 6; Temp: 25 ° C (1) ACD
Kahirupan molar 0,069 mol / l pH 7; Temp: 25 ° C (1) ACD
Kahirupan molar 0,011 mol / l pH 8; Temp: 25 ° C (1) ACD

 

Harta Nilai Kaayaan Sumber
Kahirupan molar 4.9 x 10-3 mol / l pH 9; Temp: 25 ° C (1) ACD
Kahirupan molar 4.3 x 10-3 mol / l pH 10; Temp: 25 ° C (1) ACD
Kahirupan molar 4.3 x 10-3 mol / l Cai pH 9.89; Temp: 25 ° C (1) ACD
Beurat molekular 379.45    
Pka 13.75 ± 0,46 TEMP anu paling asam: 25 ° C (1) ACD
Pka 8.19 ± 0,33 Paling dasar temp: 25 ° C (1) ACD
Tekenan uap 1,86 x 10-21 torr Temp: 25 ° C (1) ACD

(1) Diitung nganggo pangembangan kimia maju (ACD / Lab) Software v11.02 (© 199-202 Acd / LCS)

Perténaran

Harta Nilai Kaayaan Sumber
Perténaran 1.243 ± 0,06 g / cm3 Temp: 20 ° C; Pencét: 760 Torr (1) ACD
Masar 305.2 ± 3.0 cm3 / mol Temp: 20 ° C; Pencét: 760 Torr (1) ACD

(1) Diitung nganggo pangembangan kimia maju (ACD / Lab) Software v11.02 (© 199-202 Acd / LCS)

Lipinski

Harta Nilai Kaayaan Sumber
Beungkeut bébas rotét 12   (1) ACD
H panarima 9   (1) ACD
H donor 8   (1) ACD
H donor / panarima 17   (1) ACD
logp -0.354 ± 0,602 Temp: 25 ° C (1) ACD
Beurat molekular 379.45    

(1) Diitung nganggo pangembangan kimia maju (ACD / Lab) Software v11.02 (© 199-202 Acd / LCS)

Struktur patali

Harta Nilai

Kaayaan

Sumber
Daérah permukaan polar 160 A2 (1) ACD

(1) Diitung nganggo pangembangan kimia maju (ACD / Lab) Software v11.02 (© 199-202 Acd / LCS)

Theresalia

Harta Nilai Kaayaan Sumber
Titik anu ngagolak 715.0 ± 60.0 ° C Pencét: 760 Torr (1) ACD
Enthalpy tina vaporisasi 109.72 ± 3.0 kJ / mol Pencét: 760 Torr (1) ACD
Titik kaingetan 386.2 ± 32.9 ° C   (1) ACD

(1) Diitung nganggo pangembangan kimia maju (ACD / Lab) Software v11.02 (© 199-202 Acd / LCS)

Spéktra ngaduga spéktra

Spéktra sayogi
1h nmr
13c nmr

Pernyataan bahaya

Kode Pernyataan Bahaya Sumber
H335 Tiasa ngabalukarkeun iritasi respirator Badan kimia Éropa (echa) klasifikasi & digambarkeun 9ering inventaris, klasiifikasi pangabutuh sareng bewara kimia Éropa, ocheling - paling penting
H319 Ngabalukarkeun iritasi panon serius Badan kimia Éropa (echa) klasifikasi & digambarkeun 9ering inventaris, klasiifikasi pangabutuh sareng bewara kimia Éropa, ocheling - paling penting
H315 Ngabalukarkeun iritasi kulit Badan kimia Éropa (echa) klasifikasi & digambarkeun 9ering inventaris, klasiifikasi pangabutuh sareng bewara kimia Éropa, ocheling - paling penting
H302 Ngabahayakeun upami ditelek Badan kimia Éropa (echa) klasifikasi & digambarkeun 9ering inventaris, klasiifikasi pangabutuh sareng bewara kimia Éropa, ocheling - paling penting

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