C39H46FN4O8P Uridina, 5′ -O- [bis(4-metoksifenil)fenilmetil]-2′ -deoksi-2′ – fluoro-, 3′ – [2-sianoetil N,N-bis(1-metiletil)fosforamidit] (ACI)
Nomor Registrasi CAS
146954-75-8
Sifat Fisik Utama | Nilai | Kondisi |
Berat Molekul | 748.78 | - |
pKa (Diprediksi) | 9,39±0,10 | Suhu Paling Asam: 25 °C |
SENYUM KANONIK
Bahasa Indonesia: N#CCCOP(OC1C(F)C(OC1COC(C=2C=CC=CC2)(C3=CC=C(OC)C=C3)C4=CC=C(OC)C=C4)N5C=CC(=O)NC5=O)N(C(C)C)C(C)C
SENYUM ISMER
Bahasa Indonesia: C(OC[C@@H]1[C@@H](OP(N(C(C)C)C(C)C)OCCC#N)[C@@H](F)[C@@H](O1)N2C(=O)NC(=O)C=C2)(C3=CC=C(OC)C=C3)(C4=CC=C(OC)C= C4)C5=CC=CC=C5
Di Cina
Dalam ChI= 1S/C39H46FN4O8P/c1-26(2)44(27(3)4)53(50-24-10-22-41)52-36-33(51-37(35(36)40)43-23-21-34(45)42-38(43)46)25-49-39(28-11 -8-7-9-12-28,29-13-17-31(47-5)18-14-29)30-15-19-32(48-6)20-16-3 0/j7-9,11-21,23,26-27,33,35-37H,10,24-25H2,1-6H3,(H,42,45,46)/t3 3-,35-,36-,37-,53?/m1/s1
Kunci InChI
HQHQPAYRJJMYQX-DJTPZYMWSA-N
1 Nama Lain untuk Zat Ini
Uridin, 5′ -O- [bis(4-metoksifenil)fenilmetil]-2′-deoksi-2′-fluoro-, 3′- [2-sianoetil bis(1-metiletil)fosforamidit] (9CI)
Properti tersedia
Biologis
Kimia
Lipinski
Struktur Terkait
Milik | Nilai | Kondisi | Sumber |
Faktor Biokonsentrasi | 457 | pH 1; Suhu: 25 °C | (1) ACD |
Faktor Biokonsentrasi | 3690 | pH 2; Suhu: 25 °C | (1) ACD |
Faktor Biokonsentrasi | 27700 | pH 3; Suhu: 25 °C | (1) ACD |
Faktor Biokonsentrasi | 82900 | pH 4; Suhu: 25 °C | (1) ACD |
Faktor Biokonsentrasi | Ukuran 1,04 x 105 | pH 5; Suhu: 25 °C | (1) ACD |
Faktor Biokonsentrasi | Ukuran 1,06 x 105 | pH 6; Suhu: 25 °C | (1) ACD |
Faktor Biokonsentrasi | Ukuran 1,06 x 105 | pH 7; Suhu: 25 °C | (1) ACD |
Faktor Biokonsentrasi | Ukuran 1,02x105 | pH 8; Suhu: 25 °C | (1) ACD |
Faktor Biokonsentrasi | 76200 | pH 9; Suhu: 25 °C | (1) ACD |
Faktor Biokonsentrasi | 22000 | pH 10; Suhu: 25 °C | (1) ACD |
(1) Dihitung menggunakan Perangkat Lunak Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Nilai Properti Kondisi Sumber |
Koc 592 pH 1; Suhu: 25 °C (1) ACD |
Koc 4790 pH 2; Suhu: 25 °C (1) ACD |
Koc 36000 pH 3; Suhu: 25 °C (1) ACD |
Koc 1,07 x 105 pH 4; Suhu: 25 °C (1) ACD |
Koc 1,34 x 105 pH 5; Suhu: 25 °C (1) ACD |
Koc 1,38 x 105 pH 6; Suhu: 25 °C (1) ACD |
Koc 1,37 x 105 pH 7; Suhu: 25 °C (1) ACD |
Koc 1,33 x 105 pH 8; Suhu: 25 °C (1) ACD |
Koc 98800 pH 9; Suhu: 25 °C (1) ACD |
Koc 28600 pH 10; Suhu: 25 °C (1) ACD |
logD 4,55 pH 1; Suhu: 25 °C (1) ACD |
logD 5,46 pH 2; Suhu: 25 °C (1) ACD |
logD 6,33 pH 3; Suhu: 25 °C (1) ACD |
Milik | Nilai | Kondisi | Sumber |
catatan D | 6.81 | pH 4; Suhu: 25 °C | (1) ACD |
catatan D | 6.91 | pH 5; Suhu: 25 °C | (1) ACD |
catatan D | 6.92 | pH 6; Suhu: 25 °C | (1) ACD |
catatan D | 6.92 | pH 7; Suhu: 25 °C | (1) ACD |
catatan D | 6.90 | pH 8; Suhu: 25 °C | (1) ACD |
catatan D | 6.77 | pH 9; Suhu: 25 °C | (1) ACD |
catatan D | 6.23 | pH 10; Suhu: 25 °C | (1) ACD |
catatan P | 6.918±0.641 | Suhu: 25 °C | (1) ACD |
Kelarutan Intrinsik Massa | 2,2 x 10-5 gram/liter | Suhu: 25 °C | (1) ACD |
Kelarutan Massa | 5,1 x 10-3 gram/liter | pH 1; Suhu: 25 °C | (1) ACD |
Kelarutan Massa | 6,3 x 10-4 gram/liter | pH 2; Suhu: 25 °C | (1) ACD |
Kelarutan Massa | 8,2 x 10-5 gram/liter | pH 3; Suhu: 25 °C | (1) ACD |
Kelarutan Massa | 2,8 x 10-5 gram/liter | pH 4; Suhu: 25 °C | (1) ACD |
Kelarutan Massa | 2,2 x 10-5 gram/liter | pH 5; Suhu: 25 °C | (1) ACD |
Kelarutan Massa | 2,2 x 10-5 gram/liter | pH 6; Suhu: 25 °C | (1) ACD |
Kelarutan Massa | 2,2 x 10-5 gram/liter | pH 7; Suhu: 25 °C | (1) ACD |
Kelarutan Massa | 2,2 x 10-5 gram/liter | pH 8; Suhu: 25 °C | (1) ACD |
Kelarutan Massa | 3,0 x 10-5 gram/liter | pH 9; Suhu: 25 °C | (1) ACD |
Kelarutan Massa | 1,0 x 10-4 gram/liter | pH 10; Suhu: 25 °C | (1) ACD |
Kelarutan Massa | 2,2 x 10-5 gram/liter | Air Tanpa Penyangga pH 7,00; Suhu: 25 °C | (1) ACD |
Kelarutan Intrinsik Molar | 2,9 x 10-8 mol/liter | Suhu: 25 °C | (1) ACD |
Kelarutan Molar | 6,8 x 10-6 mol/liter | pH 1; Suhu: 25 °C | (1) ACD |
Kelarutan Molar | 8,4 x 10-7 mol/liter | pH 2; Suhu: 25 °C | (1) ACD |
Kelarutan Molar | 1,1 x 10-7 mol/liter | pH 3; Suhu: 25 °C | (1) ACD |
Kelarutan Molar | 3,7 x 10-8 mol/liter | pH 4; Suhu: 25 °C | (1) ACD |
Kelarutan Molar | 3,0 x 10-8 mol/liter | pH 5; Suhu: 25 °C | (1) ACD |
Kelarutan Molar | 2,9 x 10-8 mol/liter | pH 6; Suhu: 25 °C | (1) ACD |
Kelarutan Molar | 2,9 x 10-8 mol/liter | pH 7; Suhu: 25 °C | (1) ACD |
Kelarutan Molar | 3,0 x 10-8 mol/liter | pH 8; Suhu: 25 °C | (1) ACD |
Kelarutan Molar | 4,0 x 10-8 mol/liter | pH 9; Suhu: 25 °C | (1) ACD |
Kelarutan Molar | 1,4 x 10-7 mol/liter | pH 10; Suhu: 25 °C | (1) ACD |
Kelarutan Molar | 2,9 x 10-8 mol/liter | Air Tanpa Penyangga pH 7,00; Suhu: 25 °C | (1) ACD |
Milik | Nilai | Kondisi | Sumber |
Berat Molekul | 748.78 | ||
pKa | 9,39±0,10 | Suhu Paling Asam: 25 °C | (1) ACD |
pKa | 3,45±0,70 | Suhu Paling Dasar: 25 °C | (1) ACD |
(1) Dihitung menggunakan Perangkat Lunak Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Milik | Nilai | Kondisi | Sumber |
Obligasi yang Dapat Diputar Secara Bebas | 17 | (1) ACD | |
Akseptor H | 12 | (1) ACD | |
Donor H | 1 | (1) ACD | |
H Jumlah Donor/Akseptor | 13 | (1) ACD | |
catatan P | 6.918±0.641 | Suhu: 25 °C | (1) ACD |
Berat Molekul | 748.78 |
(1) Dihitung menggunakan Perangkat Lunak Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Milik | Nilai | Kondisi Sumber |
Luas Permukaan Kutub | 145 A2 | (1) ACD |
(1) Dihitung menggunakan Perangkat Lunak Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)