![C30H29FN2O7 Uridine, 5′-o- [BIS (4-methoxyphenyl) phenylmethyl] -2′-deoxy-2′- fluoro- (9ci, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C30H29FN2O7 Uridine, 5′-o- [BIS (4-metoxyphenyl) phenylmethyl] -2′-deoxy-2′- fluoro- (9ci, ACI) Gambar)](https://cdn.globalso.com/nvchem/C30H29FN2O7-Uridine.jpg)
C30H29FN2O7 Uridine, 5′-o- [BIS (4-methoxyphenyl) phenylmethyl] -2′-deoxy-2′- fluoro- (9ci, ACI)
| Sifat fisik utama | Nilai | Kondisi |
| Berat molekul | 548.56 | - |
| Leluh Titik (Eksperimental) | 118-120 ° C. | - |
| Kepadatan (diprediksi) | 1,38 ± 0,1 g/cm3 | Temp: 20 ° C; Tekan: 760 Torr |
| pKa (diprediksi) | 9,39 ± 0,10 | Sebagian besar suhu asam: 25 ° C |
Senyum kanonik 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) C2F
Senyum isomerik C (OC [C@H] 1O [c@h] ([c@h] (f) [c @@ h] 1o) n2c (= o) nc (= o) c = c2) (c3 = cc = c (oc) c = c3) (c4 = cc = c (oc) c = c4) c5 = c3 = c4 = c5
Inci
Inchi = 1S/C30H29FN2O7/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 (35) 26 (31) 28) 33) 33) 33) 33 (35) (35) (31) (40-24) 33) 33 (40-24
-17-16-25 (34) 32-29 (33) 36/H3-17,24,26-28,35H, 18H2,1-2H3, (h, 32,34,36)/t24-, 26-, 27-, 28-/M1/S1
Kunci Inchi
Cssfzsszxoccjb-yuloidqlsa-n
1 nama lain untuk zat ini
5′-o- [bis (4-methoxyphenyl) phenylmethyl] -2′-deoxy-2′-fluorouridine (ACI)
Properti tersedia
Panas
Panas
| Milik | Nilai | Kondisi | Sumber |
| Titik lebur | 118-120 ° C. | (1) Cas | |
(1) Penjarla, Srishylam; Nukleosida, Nukleotida & Asam Nukleat, (2018), 37 (4), 232-247, Caplus
Spektrum tersedia
1H nmr
13C NMR
| Properti tersedia |
| Biologis |
| Kimia |
| Kepadatan |
| Lipinski |
| Terkait struktur |
Biologis
| Milik | Nilai | Kondisi | Sumber |
| Faktor biokonsentrasi | 3580 | pH 1; Temp: 25 ° C. | (1) ACD |
| Faktor biokonsentrasi | 3580 | pH 2; Temp: 25 ° C. | (1) ACD |
| Faktor biokonsentrasi | 3580 | pH 3; Temp: 25 ° C. | (1) ACD |
| Faktor biokonsentrasi | 3580 | pH 4; Temp: 25 ° C. | (1) ACD |
| Faktor biokonsentrasi | 3580 | pH 5; Temp: 25 ° C. | (1) ACD |
| Faktor biokonsentrasi | 3580 | pH 6; Temp: 25 ° C. | (1) ACD |
| Faktor biokonsentrasi | 3570 | pH 7; Temp: 25 ° C. | (1) ACD |
| Faktor biokonsentrasi | 3430 | pH 8; Temp: 25 ° C. | (1) ACD |
| Faktor biokonsentrasi | 2500 | pH 9; Temp: 25 ° C. | (1) ACD |
| Faktor biokonsentrasi | 689 | pH 10; Temp: 25 ° C. | (1) ACD |
(1) Dihitung menggunakan perangkat lunak pengembangan kimia canggih (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
Kimia
| Milik | Nilai | Kondisi | Sumber |
| Koc | 12200 | pH 1; Temp: 25 ° C. | (1) ACD |
| Koc | 12200 | pH 2; Temp: 25 ° C. | (1) ACD |
| Koc | 12200 | pH 3; Temp: 25 ° C. | (1) ACD |
| Koc | 12200 | pH 4; Temp: 25 ° C. | (1) ACD |
| Koc | 12200 | pH 5; Temp: 25 ° C. | (1) ACD |
| Koc | 12200 | pH 6; Temp: 25 ° C. | (1) ACD |
| Koc | 12100 | pH 7; Temp: 25 ° C. | (1) ACD |
| Koc | 11700 | pH 8; Temp: 25 ° C. | (1) ACD |
| Koc | 8480 | pH 9; Temp: 25 ° C. | (1) ACD |
| Koc | 2340 | pH 10; Temp: 25 ° C. | (1) ACD |
| logd | 4.98 | pH 1; Temp: 25 ° C. | (1) ACD |
| logd | 4.98 | pH 2; Temp: 25 ° C. | (1) ACD |
| logd | 4.98 | pH 3; Temp: 25 ° C. | (1) ACD |
| logd | 4.98 | pH 4; Temp: 25 ° C. | (1) ACD |
| logd | 4.98 | pH 5; Temp: 25 ° C. | (1) ACD |
| logd | 4.98 | pH 6; Temp: 25 ° C. | (1) ACD |
| logd | 4.98 | pH 7; Temp: 25 ° C. | (1) ACD |
| logd | 4.96 | pH 8; Temp: 25 ° C. | (1) ACD |
| logd | 4.82 | pH 9; Temp: 25 ° C. | (1) ACD |
| logd | 4.26 | pH 10; Temp: 25 ° C. | (1) ACD |
| logp | 4,979 ± 0,563 | Temp: 25 ° C. | (1) ACD |
| Kelarutan intrinsik massa | 9.9 x 10-5 g/l | Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 9.9 x 10-5 g/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 9.9 x 10-5 g/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 9.9 x 10-5 g/l | pH 3; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 9.9 x 10-5 g/l | pH 4; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 9.9 x 10-5 g/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 9.9 x 10-5 g/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 9.9 x 10-5 g/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 9.9 x 10-5 g/l | pH 8; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 1.4 x 10-4 g/L | pH 9; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 5.0 x 10-4 g/l | pH 10; Temp: 25 ° C. | (1) ACD |
| Milik | Nilai | Kondisi | Sumber |
| Kelarutan massal | 9.9 x 10-5 g/l | Air PH 7.00 yang tidak terikat; Temp: 25 ° C. | (1) ACD |
| Kelarutan intrinsik molar | 1,8 x 10-7 mol/L | Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 1,8 x 10-7 mol/L | pH 1; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 1,8 x 10-7 mol/L | pH 2; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 1,8 x 10-7 mol/L | pH 3; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 1,8 x 10-7 mol/L | pH 4; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 1,8 x 10-7 mol/L | pH 5; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 1,8 x 10-7 mol/L | pH 6; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 1,8 x 10-7 mol/L | pH 7; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 1,8 x 10-7 mol/L | pH 8; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 2,5 x 10-7 mol/L | pH 9; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 9.2 x 10-7 mol/L | pH 10; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 1,8 x 10-7 mol/L | Air PH 7.00 yang tidak terikat; Temp: 25 ° C. | (1) ACD |
| Berat molekul | 548.56 | ||
| PKA | 9,39 ± 0,10 | Sebagian besar suhu asam: 25 ° C | (1) ACD |
(1) Dihitung menggunakan perangkat lunak pengembangan kimia canggih (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
Kepadatan
| Milik | Nilai | Kondisi | Sumber |
| Kepadatan | 1,38 ± 0,1 g/cm3 | Temp: 20 ° C; Tekan: 760 Torr | (1) ACD |
| Volume molar | 395,8 ± 5,0 cm3/mol | Temp: 20 ° C; Tekan: 760 Torr | (1) ACD |
(1) Dihitung menggunakan perangkat lunak pengembangan kimia canggih (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
Lipinski
| Milik | Nilai | Kondisi | Sumber |
| Ikatan yang dapat diputar secara bebas | 10 | (1) ACD | |
| H akseptor | 9 | (1) ACD | |
| H donor | 2 | (1) ACD | |
| H donor/jumlah akseptor | 11 | (1) ACD | |
| logp | 4,979 ± 0,563 | Temp: 25 ° C. | (1) ACD |
| Berat molekul | 548.56 |
(1) Dihitung menggunakan perangkat lunak pengembangan kimia canggih (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
Terkait struktur
| Milik | Nilai | Kondisi | Sumber |
| Area Permukaan Kutub | 107 A2 | (1) ACD | |
(1) Dihitung menggunakan perangkat lunak pengembangan kimia canggih (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
Spektrum tersedia
1H nmr
13C NMR
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