C20h23n5o6 Adenosine, n-benzoyl-2'-o- (2-Metoxyethyl) - 9ci, Aci)
Key Dalili | Daraja | Sharaɗi |
Nauyi na kwayoyin | 429.43 | - |
Density (annabta) | 1.53 ± 0.1 g / cm3 | Hemp: 20 ° C; Latsa: 760 Torr |
Pka (annabta) | 13.15 ± 0.70 | Mafi yawan tempt: 25 ° C |
Murmushi na Canonical O = C (NC1 = NC = NC2 = C1N = CN2C3OC (o) C3OCCOC) C = 4C = CC = CC4
IsMeric murmushi O (CCOC) [C @ @@ h] (CO (C] (CC) 1o) = C3 = C2 = C2 = CC = C4) N = C4) n = CN3
Inci
InChI=1S/C20H23N5O6/c1-29-7-8-30-16-15(27)13(9-26)31-20(16)25-11-23-14-17(21-10-22-18(14)25)24-19(28)12-5-3-2-4-6-12/h2-6,1 0-11,13-16,25-2,26-200h, 7-9H2,1h3, (H, 21,25-, 15- / 16-, 20- / s1
Maɓallin Inchi
Rufjmcsvnngzfb-Khtyjdqrsa-n
2 wasu sunaye na wannan abu
N-benzoyl-2'-o- (2-metoxyethyl) Addinosine (ACI); N6-benzoyl-2'-o- (2-metoxyethyl) Adenosine
Spectra akwai
1H nmr
13C nmr
Kayan da ake samu |
Nazarin halitta |
Na kemistri |
Yawa |
Lipinski |
Tsarin ya shafi |
Nazarin halitta
Dukiya | Daraja | Sharaɗi | Mafari |
Bayani na Bioconcentoration | 3.71 | pH 1; HATHI: 25 ° C | (1) ACD |
Bayani na Bioconcentoration | 14.6 | PH 2; HATHI: 25 ° C | (1) ACD |
Bayani na Bioconcentoration | 20.9 | PH 3; HATHI: 25 ° C | (1) ACD |
Bayani na Bioconcentoration | 21.8 | pH 4; HATHI: 25 ° C | (1) ACD |
Bayani na Bioconcentoration | 21.9 | PH 5; HATHI: 25 ° C | (1) ACD |
Bayani na Bioconcentoration | 21.8 | pH 6; HATHI: 25 ° C | (1) ACD |
Bayani na Bioconcentoration | 21.4 | PH 7; HATHI: 25 ° C | (1) ACD |
Bayani na Bioconcentoration | 17.6 | PH 8; HATHI: 25 ° C | (1) ACD |
Bayani na Bioconcentoration | 6.52 | PH 9; HATHI: 25 ° C | (1) ACD |
Bayani na Bioconcentoration | 1.08 | 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 | 53.2 | pH 1; HATHI: 25 ° C | (1) ACD |
Koc | 210 | PH 2; HATHI: 25 ° C | (1) ACD |
Koc | 299 | PH 3; HATHI: 25 ° C | (1) ACD |
Koc | 312 | pH 4; HATHI: 25 ° C | (1) ACD |
Koc | 314 | PH 5; HATHI: 25 ° C | (1) ACD |
Koc | 313 | pH 6; HATHI: 25 ° C | (1) ACD |
Koc | 306 | PH 7; HATHI: 25 ° C | (1) ACD |
Koc | 253 | PH 8; HATHI: 25 ° C | (1) ACD |
Dukiya | Daraja | Sharaɗi | Mafari |
Koc | 93.5 | PH 9; HATHI: 25 ° C | (1) ACD |
Koc | 15.5 | PH 10; HATHI: 25 ° C | (1) ACD |
yi biyayya | 1.30 | pH 1; HATHI: 25 ° C | (1) ACD |
yi biyayya | 1.90 | PH 2; HATHI: 25 ° C | (1) ACD |
yi biyayya | 2.05 | PH 3; HATHI: 25 ° C | (1) ACD |
yi biyayya | 2.07 | pH 4; HATHI: 25 ° C | (1) ACD |
yi biyayya | 2.07 | PH 5; HATHI: 25 ° C | (1) ACD |
yi biyayya | 2.07 | pH 6; HATHI: 25 ° C | (1) ACD |
yi biyayya | 2.06 | PH 7; HATHI: 25 ° C | (1) ACD |
yi biyayya | 1.98 | PH 8; HATHI: 25 ° C | (1) ACD |
yi biyayya | 1.54 | PH 9; HATHI: 25 ° C | (1) ACD |
yi biyayya | 0.76 | PH 10; HATHI: 25 ° C | (1) ACD |
logp | 2.085 ± 0.689 | HATHI: 25 ° C | (1) ACD |
Taro na kwantar da hankali | 0.030 g / l | HATHI: 25 ° C | (1) ACD |
Siyarwar taro | 0.17 g / l | pH 1; HATHI: 25 ° C | (1) ACD |
Siyarwar taro | 0.0429 g / l | PH 2; HATHI: 25 ° C | (1) ACD |
Siyarwar taro | 0.030 g / l | PH 3; HATHI: 25 ° C | (1) ACD |
Siyarwar taro | 0.029 g / l | pH 4; HATHI: 25 ° C | (1) ACD |
Siyarwar taro | 0.029 g / l | PH 5; HATHI: 25 ° C | (1) ACD |
Siyarwar taro | 0.029 g / l | pH 6; HATHI: 25 ° C | (1) ACD |
Siyarwar taro | 0.029 g / l | PH 7; HATHI: 25 ° C | (1) ACD |
Siyarwar taro | 0.036 g / l | PH 8; HATHI: 25 ° C | (1) ACD |
Siyarwar taro | 0.094 g / l | PH 9; HATHI: 25 ° C | (1) ACD |
Siyarwar taro | 0.60 g / l | PH 10; HATHI: 25 ° C | (1) ACD |
Siyarwar taro | 0.029 g / l | Unbuled ruwan sha ph 6.38; HATHI: 25 ° C | (1) ACD |
Maganin Magana na Magana | 7.0 x 10-5 mol / l | HATHI: 25 ° C | (1) ACD |
Ƙirar Molar | 3.9 x 10-4 mol / l | pH 1; HATHI: 25 ° C | (1) ACD |
Ƙirar Molar | 1.00 x 10-4 mol / l | PH 2; HATHI: 25 ° C | (1) ACD |
Ƙirar Molar | 7.0 x 10-5 mol / l | PH 3; HATHI: 25 ° C | (1) ACD |
Ƙirar Molar | 6.7 x 10-5 mol / l | pH 4; HATHI: 25 ° C | (1) ACD |
Ƙirar Molar | 6.7 x 10-5 mol / l | PH 5; HATHI: 25 ° C | (1) ACD |
Ƙirar Molar | 6.7 x 10-5 mol / l | pH 6; HATHI: 25 ° C | (1) ACD |
Dukiya | Daraja | Sharaɗi | Mafari |
Ƙirar Molar | 6.8 x 10-5 mol / l | PH 7; HATHI: 25 ° C | (1) ACD |
Ƙirar Molar | 8.3 x 10-5 mol / l | PH 8; HATHI: 25 ° C | (1) ACD |
Ƙirar Molar | 2.2 x 10-4 mol / l | PH 9; HATHI: 25 ° C | (1) ACD |
Ƙirar Molar | 1.4 x 10-3 mol / l | PH 10; HATHI: 25 ° C | (1) ACD |
Ƙirar Molar | 6.7 x 10-5 mol / l | Unbuled ruwan sha ph 6.38; HATHI: 25 ° C | (1) ACD |
Nauyi na kwayoyin | 429.43 | ||
Pka | 13.15 ± 0.70 | Mafi yawan tempt: 25 ° C | (1) ACD |
Pka | 8.80 ± 0.10 | Mafi yawan Temp: 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 | 1.53 ± 0.1 g / cm3 | Hemp: 20 ° C; Latsa: 760 Torr | (1) ACD |
Mai launi mai mor. | 280.3 ± 7.0 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 | 9 | (1) ACD | |
H revors | 11 | (1) ACD | |
H Masu ba da gudummawa | 3 | (1) ACD | |
H Kyauta / Mai ba da Kyauta | 14 | (1) ACD | |
logp | 2.085 ± 0.689 | HATHI: 25 ° C | (1) ACD |
Nauyi na kwayoyin | 429.43 |
(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 | 141 a2 | (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