C30H30N2O8 mkojo, 5'-O- [bis (4-methoxyphenyl) phenylmethyl]-(9ci, ACI)
Sifa muhimu za mwili | Thamani | Hali |
Uzito wa Masi | 546.57 | - |
Hatua ya kuyeyuka (majaribio) | 111-112 ° C. | Kutengenezea: ethyl acetate |
Uzani (uliotabiriwa) | 1.343 ± 0.06 g/cm3 | Temp: 20 ° C; Bonyeza: 760 Torr |
PKA (alitabiri) | 9.39 ± 0.10 | Templeti nyingi za asidi: 25 ° C. |
Tabasamu za Canonical O = C1c = Cn (C (= O) N1) C2OC (COC (C = 3C = CC = CC3) (C4 = CC = C (OC) C = C4) C5 = CC = C (OC) C = C5) C (O) C2O
Isomeric Smiles C (OC [C@H] 1O [C@H] ([C@H] (o) [C @@ H] 1O) N2C (= O) NC (= O) C = C2) (C3 = CC = C (OC) C = C3) (C4 = CC = C (OC) C = C4) C5 = Cc = Cc = Cc = Cc = Cc = Cc = Cc = C5 = C5 = C5 = C5 = C5 = C5 = C5 = C5 = C5 = C5 = C5 = C5 = C5 = C5 = C5 = C5 = C5 = C5 = C5 = C5 = C5 = C5 = C5 = C5 = C5 = C = C5 = C = C5 = C5 = C = C5 = C5 = C = C5 = C = C5 = C = C5 = C = C5 = C = C = C5 = C = C5 = C =
Inchi
Inchi = 1S/C30H30N2O8/C1-37-22-12-8-20 (9-13-22) 30 (19-6-4-3-5-7-19,21-10-14-23 (38-2) 15-11-21) 39-18-24-26 (34) 27 (35) (40-24 28 (40-44) 28 (40-25) 28 (40-25) 28 (40-44 28 (40-44 28 (40-44 28 (35) 28 (40-44 28)
17-16-25 (33) 31-29 (32) 36/H3-17,24,26-28,34-35h, 18h2,1-2h3, (h, 31,33,36)/t24-, 26-, 27-, 28-/m1/s1
Ufunguo wa Inchi
PCFSNQYXXACUHM-YULOIDQLSA-N
Majina mengine 4 kwa dutu hii
5'-O- [bis (4-methoxyphenyl) phenylmethyl] mkojo (ACI); Uridine, 5'-O- [α, α-bis (p-methoxyphenyl) benzyl]-(7ci); 5'-dimethoxytrityl mkojo; 5'-O- (4,4'-dimethoxytrityl) mkojo
Mali inapatikana |
Mafuta |
Mafuta
Mali | Thamani | Hali | Chanzo | |
Hatua ya kuyeyuka | 122-123 ° C. | (1) CAS | ||
Hatua ya kuyeyuka | 111-112 ° C. | Kutengenezea: | Ethyl acetate | (2) CAS |
Hatua ya kuyeyuka | Tazama maandishi kamili | (3) CAS |
(1) Zekri, Negar; Bulletin of the Chemical Society of Ethiopia, (2010), 24 (2), 299-304, caplus
(2) Patil, Premiand Ramrao; Jarida la Kemia ya wanga, (2008), 27 (5), 279-293, Caplus
(3) Khalafi-Nezhad, Ali; Barua za Tetrahedron, (2004), 45 (36), 6737-6739, Caplus
Spectra inapatikana
1H NMR
13C NMR
Misa
Mali inapatikana |
Kibaolojia |
Kemikali |
Wiani |
Lipinski |
Muundo unaohusiana |
Kibaolojia
Mali | Thamani | Hali | Chanzo |
Sababu ya bioconcentration | 904 | pH 1; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 904 | pH 2; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 904 | pH 3; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 904 | pH 4; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 904 | pH 5; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 904 | pH 6; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 900 | pH 7; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 861 | pH 8; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 602 | pH 9; Temp: 25 ° c | (1) ACD |
Mali | Thamani | Hali | Chanzo |
Sababu ya bioconcentration | 156 | pH 10; Temp: 25 ° c | (1) ACD |
.
Kemikali
Mali | Thamani | Hali | Chanzo |
KOC | 4550 | pH 1; Temp: 25 ° c | (1) ACD |
KOC | 4550 | pH 2; Temp: 25 ° c | (1) ACD |
KOC | 4550 | pH 3; Temp: 25 ° c | (1) ACD |
KOC | 4550 | pH 4; Temp: 25 ° c | (1) ACD |
KOC | 4550 | pH 5; Temp: 25 ° c | (1) ACD |
KOC | 4540 | pH 6; Temp: 25 ° c | (1) ACD |
KOC | 4520 | pH 7; Temp: 25 ° c | (1) ACD |
KOC | 4330 | pH 8; Temp: 25 ° c | (1) ACD |
KOC | 3030 | pH 9; Temp: 25 ° c | (1) ACD |
KOC | 785 | pH 10; Temp: 25 ° c | (1) ACD |
logi | 4.19 | pH 1; Temp: 25 ° c | (1) ACD |
logi | 4.19 | pH 2; Temp: 25 ° c | (1) ACD |
logi | 4.19 | pH 3; Temp: 25 ° c | (1) ACD |
logi | 4.19 | pH 4; Temp: 25 ° c | (1) ACD |
logi | 4.19 | pH 5; Temp: 25 ° c | (1) ACD |
logi | 4.19 | pH 6; Temp: 25 ° c | (1) ACD |
logi | 4.19 | pH 7; Temp: 25 ° c | (1) ACD |
logi | 4.17 | pH 8; Temp: 25 ° c | (1) ACD |
logi | 4.02 | pH 9; Temp: 25 ° c | (1) ACD |
logi | 3.43 | pH 10; Temp: 25 ° c | (1) ACD |
Logp | 4.192 ± 0.628 | Temp: 25 ° c | (1) ACD |
Umumunyifu wa ndani | 3.2 x 10-4 g/l | Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 3.2 x 10-4 g/l | pH 1; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 3.2 x 10-4 g/l | pH 2; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 3.2 x 10-4 g/l | pH 3; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 3.2 x 10-4 g/l | pH 4; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 3.2 x 10-4 g/l | pH 5; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 3.2 x 10-4 g/l | pH 6; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 3.2 x 10-4 g/l | pH 7; Temp: 25 ° c | (1) ACD |
Mali | Thamani | Hali | Chanzo |
Umumunyifu wa wingi | 3.3 x 10-4 g/l | pH 8; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 4.8 x 10-4 g/l | pH 9; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 1.9 x 10-3 g/l | pH 10; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 3.2 x 10-4 g/l | Maji yasiyokuwa na maji pH 6.99; Temp: 25 ° c | (1) ACD |
Umumunyifu wa ndani wa molar | 5.8 x 10-7 mol/l | Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 5.8 x 10-7 mol/l | pH 1; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 5.8 x 10-7 mol/l | pH 2; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 5.8 x 10-7 mol/l | pH 3; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 5.8 x 10-7 mol/l | pH 4; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 5.8 x 10-7 mol/l | pH 5; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 5.8 x 10-7 mol/l | pH 6; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 5.8 x 10-7 mol/l | pH 7; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 6.1 x 10-7 mol/l | pH 8; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 8.7 x 10-7 mol/l | pH 9; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 3.4 x 10-6 mol/l | pH 10; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 5.8 x 10-7 mol/l | Maji yasiyokuwa na maji pH 6.99; Temp: 25 ° c | (1) ACD |
Uzito wa Masi | 546.57 | ||
PKA | 9.39 ± 0.10 | Templeti nyingi za asidi: 25 ° C. | (1) ACD |
.
Wiani
Mali | Thamani | Hali | Chanzo |
Wiani | 1.343 ± 0.06 g/cm3 | Temp: 20 ° C; Bonyeza: 760 Torr | (1) ACD |
Kiasi cha molar | 406.9 ± 3.0 cm3/mol | Temp: 20 ° C; Bonyeza: 760 Torr | (1) ACD |
.
Lipinski
Mali | Thamani | Hali | Chanzo |
Vifungo vya mzunguko wa bure | 11 | (1) ACD | |
Wapokeaji | 10 | (1) ACD | |
H wafadhili | 3 | (1) ACD | |
H wafadhili/jumla ya jumla | 13 | (1) ACD | |
Logp | 4.192 ± 0.628 | Temp: 25 ° c | (1) ACD |
Mali | Thamani | Hali | Chanzo |
Uzito wa Masi | 546.57 |
.
Muundo unaohusiana
Mali | Thamani | Hali | Chanzo |
Eneo la uso wa polar | 127 A2 | (1) ACD |
.
Spectra inapatikana
1H NMR
13C NMR