C33h39namo6 L-Ornithinamide, N - [(9h-valethoxy) carbinonyl-9-olyl) phenyl] phenyl] - (9ci, Aci)
Key Dalili | Daraja | Sharaɗi |
Nauyi na kwayoyin | 601-69 | - |
Tafasa matsayi (annabta) | 914.2 ± 65.0 ° C | Latsa: 760 Torr |
Density (annabta) | 1.276 ± 0.06 g / cm3 | Hemp: 20 ° C; Latsa: 760 Torr |
Pka (annabta) | 10.63 ± 0.46 | Mafi yawan tempt: 25 ° C |
Canonical murmushi = c (cc1c = 2c = cc = cc2c = cc31 = cc31 = cc31 = c (cc = cc31)
Murmushi na isomeric c (OC (n [c (c (c (c (cc1 = ccca = c1) cc4c = cc = CC4 =
Inci
Inchi = 1s / c33h39n5o6 / c1-25 (38-33 (43) (251) (24) (41) 31 (41) 31 (48) 31 (41) 37.8 32 (34) 42 (40) 36-22-13-21 (18-39) 14-16-22,15,15,19H, (H, 37,41) (H3,41) (H3,34,3) (H3,34,3) (H3,34,3) (H3,34,3) (H3,34,3) (H3,34,3) (H3,34,3) (H3,34,3) (H3,34,3
5,42) / t28-, 29- / m0 / s1
Maɓallin Inchi
Dalmazhdnfcc-VmpRefpwsa-n
1 Wasu suna don wannan abu
N - ((9h-ylmethoxy) carbinonyl] -l-valyl-N5- (amincoxinamhyl) phenyl] -l-Ornithide (ACI)
Spectra akwai
1H nmr
13C nmr
Kayan da ake samu |
Nazarin halitta |
Na kemistri |
Yawa |
Lipinski |
Tsarin ya shafi |
Rashin ƙarfi |
Nazarin halitta
Dukiya | Daraja | Sharaɗi | Mafari |
Bayani na Bioconcentoration | 809 | pH 1; HATHI: 25 ° C | (1) ACD |
Bayani na Bioconcentoration | 912 | PH 2; HATHI: 25 ° C | (1) ACD |
Bayani na Bioconcentoration | 923 | PH 3; HATHI: 25 ° C | (1) ACD |
Bayani na Bioconcentoration | 924 | pH 4; HATHI: 25 ° C | (1) ACD |
Bayani na Bioconcentoration | 924 | PH 5; HATHI: 25 ° C | (1) ACD |
Bayani na Bioconcentoration | 924 | pH 6; HATHI: 25 ° C | (1) ACD |
Bayani na Bioconcentoration | 924 | PH 7; HATHI: 25 ° C | (1) ACD |
Bayani na Bioconcentoration | 922 | PH 8; HATHI: 25 ° C | (1) ACD |
Bayani na Bioconcentoration | 903 | PH 9; HATHI: 25 ° C | (1) ACD |
Bayani na Bioconcentoration | 750 | PH 10; HATHI: 25 ° C | (1) ACD |
(1) Lissafi ta amfani da haɓaka keɓaɓɓe na Chemistry (ACD / LABS) Software V11.02 (© 1994-2023 ACD / Lags)
Na kemistri
Dukiya | Daraja | Sharaɗi | Mafari |
Koc | 4040 | pH 1; HATHI: 25 ° C | (1) ACD |
Koc | 4550 | PH 2; HATHI: 25 ° C | (1) ACD |
Koc | 4610 | PH 3; HATHI: 25 ° C | (1) ACD |
Koc | 4620 | pH 4; HATHI: 25 ° C | (1) ACD |
Koc | 4620 | PH 5; HATHI: 25 ° C | (1) ACD |
Koc | 4620 | pH 6; HATHI: 25 ° C | (1) ACD |
Dukiya | Daraja | Sharaɗi | Mafari |
Koc | 4620 | PH 7; HATHI: 25 ° C | (1) ACD |
Koc | 4610 | PH 8; HATHI: 25 ° C | (1) ACD |
Koc | 4510 | PH 9; HATHI: 25 ° C | (1) ACD |
Koc | 3740 | PH 10; HATHI: 25 ° C | (1) ACD |
yi biyayya | 4.15 | pH 1; HATHI: 25 ° C | (1) ACD |
yi biyayya | 4.20 | PH 2; HATHI: 25 ° C | (1) ACD |
yi biyayya | 4.20 | PH 3; HATHI: 25 ° C | (1) ACD |
yi biyayya | 4.20 | pH 4; HATHI: 25 ° C | (1) ACD |
yi biyayya | 4.21 | PH 5; HATHI: 25 ° C | (1) ACD |
yi biyayya | 4.21 | pH 6; HATHI: 25 ° C | (1) ACD |
yi biyayya | 4.20 | PH 7; HATHI: 25 ° C | (1) ACD |
yi biyayya | 4.20 | PH 8; HATHI: 25 ° C | (1) ACD |
yi biyayya | 4.19 | PH 9; HATHI: 25 ° C | (1) ACD |
yi biyayya | 4.11 | PH 10; HATHI: 25 ° C | (1) ACD |
logp | 4.206 ± 0.767 | HATHI: 25 ° C | (1) ACD |
Taro na kwantar da hankali | 1.7 x 10-4 g / l | HATHI: 25 ° C | (1) ACD |
Siyarwar taro | 2.0 x 10-4 g / l | pH 1; HATHI: 25 ° C | (1) ACD |
Siyarwar taro | 1.7 x 10-4 g / l | PH 2; HATHI: 25 ° C | (1) ACD |
Siyarwar taro | 1.7 x 10-4 g / l | PH 3; HATHI: 25 ° C | (1) ACD |
Siyarwar taro | 1.7 x 10-4 g / l | pH 4; HATHI: 25 ° C | (1) ACD |
Siyarwar taro | 1.7 x 10-4 g / l | PH 5; HATHI: 25 ° C | (1) ACD |
Siyarwar taro | 1.7 x 10-4 g / l | pH 6; HATHI: 25 ° C | (1) ACD |
Siyarwar taro | 1.7 x 10-4 g / l | PH 7; HATHI: 25 ° C | (1) ACD |
Siyarwar taro | 1.7 x 10-4 g / l | PH 8; HATHI: 25 ° C | (1) ACD |
Siyarwar taro | 1.7 x 10-4 g / l | PH 9; HATHI: 25 ° C | (1) ACD |
Siyarwar taro | 2.1 x 10-4 g / l | PH 10; HATHI: 25 ° C | (1) ACD |
Siyarwar taro | 1.7 x 10-4 g / l | Unbuled ruwa ph 7.00; HATHI: 25 ° C | (1) ACD |
Maganin Magana na Magana | 2.9 x 10-7 mol / l | HATHI: 25 ° C | (1) ACD |
Ƙirar Molar | 3.3 x 10-7 mol / l | pH 1; HATHI: 25 ° C | (1) ACD |
Ƙirar Molar | 2.9 x 10-7 mol / l | PH 2; HATHI: 25 ° C | (1) ACD |
Ƙirar Molar | 2.9 x 10-7 mol / l | PH 3; HATHI: 25 ° C | (1) ACD |
Ƙirar Molar | 2.9 x 10-7 mol / l | pH 4; HATHI: 25 ° C | (1) ACD |
Dukiya | Daraja | Sharaɗi | Mafari |
Ƙirar Molar | 2.9 x 10-7 mol / l | PH 5; HATHI: 25 ° C | (1) ACD |
Ƙirar Molar | 2.9 x 10-7 mol / l | pH 6; HATHI: 25 ° C | (1) ACD |
Ƙirar Molar | 2.9 x 10-7 mol / l | PH 7; HATHI: 25 ° C | (1) ACD |
Ƙirar Molar | 2.9 x 10-7 mol / l | PH 8; HATHI: 25 ° C | (1) ACD |
Ƙirar Molar | 2.9 x 10-7 mol / l | PH 9; HATHI: 25 ° C | (1) ACD |
Ƙirar Molar | 3.5 x 10-7 mol / l | PH 10; HATHI: 25 ° C | (1) ACD |
Ƙirar Molar | 2.9 x 10-7 mol / l | Unbuled ruwa ph 7.00; HATHI: 25 ° C | (1) ACD |
Nauyi na kwayoyin | 601-69 | ||
Pka | 10.63 ± 0.46 | Mafi yawan tempt: 25 ° C | (1) ACD |
Pka | 0.13 ± 0.50 | Mafi yawan Temp: 25 ° C | (1) ACD |
Vapor matsa lamba | 0 torr | HATHI: 25 ° C | (1) ACD |
(1) Lissafi ta amfani da haɓaka keɓaɓɓe na Chemistry (ACD / LABS) Software V11.02 (© 1994-2023 ACD / Lags)
Yawa
Dukiya | Daraja | Sharaɗi | Mafari |
Yawa | 1.276 ± 0.06 g / cm3 | Hemp: 20 ° C; Latsa: 760 Torr | (1) ACD |
Mai launi mai mor. | 471.2 ± 3.0 CM3 / MOL | Hemp: 20 ° C; Latsa: 760 Torr | (1) ACD |
(1) Lissafi ta amfani da haɓaka keɓaɓɓe na Chemistry (ACD / LABS) Software V11.02 (© 1994-2023 ACD / Lags)
Lipinski
Dukiya | Daraja | Sharaɗi | Mafari |
Kyaututtuka na Rotatatable | 15 | (1) ACD | |
H revors | 11 | (1) ACD | |
H Masu ba da gudummawa | 7 | (1) ACD | |
H Kyauta / Mai ba da Kyauta | 18 | (1) ACD | |
logp | 4.206 ± 0.767 | HATHI: 25 ° C | (1) ACD |
Nauyi na kwayoyin | 601-69 |
(1) Lissafi ta amfani da haɓaka keɓaɓɓe na Chemistry (ACD / LABS) Software V11.02 (© 1994-2023 ACD / Lags)
Tsarin ya shafi
Dukiya | Daraja | Sharaɗi | Mafari |
Yankin polar | 172 | (1) ACD |
(1) Lissafi ta amfani da haɓaka keɓaɓɓe na Chemistry (ACD / LABS) Software V11.02 (© 1994-2023 ACD / Lags)
Rashin ƙarfi
Dukiya | Daraja | Sharaɗi | Mafari |
Tafasa | 914.2 ± 65.0 ° C | Latsa: 760 Torr | (1) ACD |
Entalpy na Vaporization | 139.25 ± 3.0 KJ / MOL | Latsa: 760 Torr | (1) ACD |
M hanya | 506.7 ± 34.3 ° C | (1) ACD |
(1) Lissafi ta amfani da haɓaka keɓaɓɓe na Chemistry (ACD / LABS) Software V11.02 (© 1994-2023 ACD / Lags)
Spectra akwai
1H nmr
13C nmr