C38H37N3O8 Belum Ditugaskan
Sifat Fisik Utama | Nilai | Kondisi |
Berat Molekul | 663.72 | - |
Kepadatan (Diprediksi) | 1,304±0,06 gram/cm3 | Suhu: 20 °C; Tekanan: 760 Torr |
pKa (Diprediksi) | 8,27±0,10 | Suhu Paling Asam: 25 °C |
SENYUM Kanonik O=C1NC(=O)N(C=C1C(=O)NCC=2C=CC=CC2)C3OC(COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5)C6=CC=C(OC)C=C6)C(O)C3
SENYUM ISMER
Bahasa Indonesia: C(OC[C@H]1O[C@H](C[C@@H]1O)N2C=C(C(NCC3=CC=CC=C3)=O)C(=O)NC2=O)(C4=CC=C(OC)C=C4)(C5=CC=C(OC)C=C5)C6=CC=CC=C 6
Di Cina
InciChi=1S/C38H37N3O8/c1-46-29-17-13-27(14-18-29)38(26-11-7-4-8 -12-26,28-15-19-30(47-2)20-16-28)48-24-33-32(42)21-34(49-33)4 1-23-31(36(44)40-37(41)45)35(43)39-22-25-9-5-3-6-10-25/h3-20,23,32-34,42H,21-22,24H2,1-2H3,(H,39,43)(H,40,44,45)/t32-
,33+,34+/m0/dtk1
Kunci InChI
NZBGRVLZISPURB-LBFZIJHGSA-N
Properti tersedia |
Biologis |
Properti tersedia |
Kimia |
Kepadatan |
Lipinski |
Struktur Terkait |
Biologis
Milik | Nilai | Kondisi | Sumber |
Faktor Biokonsentrasi | 5250 | pH 1; Suhu: 25 °C | (1) ACD |
Faktor Biokonsentrasi | 5250 | pH 2; Suhu: 25 °C | (1) ACD |
Faktor Biokonsentrasi | 5260 | pH 3; Suhu: 25 °C | (1) ACD |
Faktor Biokonsentrasi | 5260 | pH 4; Suhu: 25 °C | (1) ACD |
Faktor Biokonsentrasi | 5250 | pH 5; Suhu: 25 °C | (1) ACD |
Faktor Biokonsentrasi | 5200 | pH 6; Suhu: 25 °C | (1) ACD |
Faktor Biokonsentrasi | 4720 | pH 7; Suhu: 25 °C | (1) ACD |
Faktor Biokonsentrasi | tahun 2460 | pH 8; Suhu: 25 °C | (1) ACD |
Faktor Biokonsentrasi | 466 | pH 9; Suhu: 25 °C | (1) ACD |
Faktor Biokonsentrasi | 96.9 | pH 10; Suhu: 25 °C | (1) ACD |
(1) Dihitung menggunakan Perangkat Lunak Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Kimia
Milik | Nilai | Kondisi | Sumber |
Koc | 16000 | pH 1; Suhu: 25 °C | (1) ACD |
Koc | 16000 | pH 2; Suhu: 25 °C | (1) ACD |
Koc | 16000 | pH 3; Suhu: 25 °C | (1) ACD |
Koc | 16000 | pH 4; Suhu: 25 °C | (1) ACD |
Koc | 16000 | pH 5; Suhu: 25 °C | (1) ACD |
Koc | 15800 | pH 6; Suhu: 25 °C | (1) ACD |
Koc | 14400 | pH 7; Suhu: 25 °C | (1) ACD |
Koc | 7510 | pH 8; Suhu: 25 °C | (1) ACD |
Koc | tahun 1420 | pH 9; Suhu: 25 °C | (1) ACD |
Koc | 296 | pH 10; Suhu: 25 °C | (1) ACD |
catatan D | 5.20 | pH 1; Suhu: 25 °C | (1) ACD |
catatan D | 5.20 | pH 2; Suhu: 25 °C | (1) ACD |
catatan D | 5.20 | pH 3; Suhu: 25 °C | (1) ACD |
Milik | Nilai | Kondisi | Sumber |
catatan D | 5.20 | pH 4; Suhu: 25 °C | (1) ACD |
catatan D | 5.20 | pH 5; Suhu: 25 °C | (1) ACD |
catatan D | 5.19 | pH 6; Suhu: 25 °C | (1) ACD |
catatan D | 5.15 | pH 7; Suhu: 25 °C | (1) ACD |
catatan D | 4.87 | pH 8; Suhu: 25 °C | (1) ACD |
catatan D | 4.15 | pH 9; Suhu: 25 °C | (1) ACD |
catatan D | 3.46 | pH 10; Suhu: 25 °C | (1) ACD |
catatan P | 5.198±0.644 | Suhu: 25 °C | (1) ACD |
Kelarutan Intrinsik Massa | 9,3 x 10-6 gram/liter | Suhu: 25 °C | (1) ACD |
Kelarutan Massa | 9,3 x 10-6 gram/liter | pH 1; Suhu: 25 °C | (1) ACD |
Kelarutan Massa | 9,3 x 10-6 gram/liter | pH 2; Suhu: 25 °C | (1) ACD |
Kelarutan Massa | 9,3 x 10-6 gram/liter | pH 3; Suhu: 25 °C | (1) ACD |
Kelarutan Massa | 9,3 x 10-6 gram/liter | pH 4; Suhu: 25 °C | (1) ACD |
Kelarutan Massa | 9,3 x 10-6 gram/liter | pH 5; Suhu: 25 °C | (1) ACD |
Kelarutan Massa | 9,3 x 10-6 gram/liter | pH 6; Suhu: 25 °C | (1) ACD |
Kelarutan Massa | 1,1 x 10-5 gram/liter | pH 7; Suhu: 25 °C | (1) ACD |
Kelarutan Massa | 2,0 x 10-5 gram/liter | pH 8; Suhu: 25 °C | (1) ACD |
Kelarutan Massa | 1,1 x 10-4 gram/liter | pH 9; Suhu: 25 °C | (1) ACD |
Kelarutan Massa | 5,1 x 10-4 gram/liter | pH 10; Suhu: 25 °C | (1) ACD |
Kelarutan Massa | 1,1 x 10-5 gram/liter | Air Tanpa Penyangga pH 7,00; Suhu: 25 °C | (1) ACD |
Kelarutan Intrinsik Molar | 1,4 x 10-8 mol/liter | Suhu: 25 °C | (1) ACD |
Kelarutan Molar | 1,4 x 10-8 mol/liter | pH 1; Suhu: 25 °C | (1) ACD |
Kelarutan Molar | 1,4 x 10-8 mol/liter | pH 2; Suhu: 25 °C | (1) ACD |
Kelarutan Molar | 1,4 x 10-8 mol/liter | pH 3; Suhu: 25 °C | (1) ACD |
Kelarutan Molar | 1,4 x 10-8 mol/liter | pH 4; Suhu: 25 °C | (1) ACD |
Kelarutan Molar | 1,4 x 10-8 mol/liter | pH 5; Suhu: 25 °C | (1) ACD |
Kelarutan Molar | 1,4 x 10-8 mol/liter | pH 6; Suhu: 25 °C | (1) ACD |
Kelarutan Molar | 1,6 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 | 1,6 x 10-7 mol/liter | pH 9; Suhu: 25 °C | (1) ACD |
Kelarutan Molar | 7,7 x 10-7 mol/liter | pH 10; Suhu: 25 °C | (1) ACD |
Kelarutan Molar | 1,6 x 10-8 mol/liter | Air Tanpa Penyangga pH 7,00; Suhu: 25 °C | (1) ACD |
Milik | Nilai | Kondisi | Sumber |
Berat Molekul | 663.72 | ||
pKa | 8,27±0,10 | Suhu Paling Asam: 25 °C | (1) ACD |
pKa | -1,66±0,20 | Suhu Paling Dasar: 25 °C | (1) ACD |
(1) Dihitung menggunakan Perangkat Lunak Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Kepadatan
Milik | Nilai | Kondisi | Sumber |
Kepadatan | 1,304±0,06 gram/cm3 | Suhu: 20 °C; Tekanan: 760 Torr | (1) ACD |
Volume Molar | 508,6±3,0 cm3/mol | Suhu: 20 °C; Tekanan: 760 Torr | (1) ACD |
(1) Dihitung menggunakan Perangkat Lunak Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Lipinski
Milik | Nilai | Kondisi | Sumber |
Obligasi yang Dapat Diputar Secara Bebas | 13 | (1) ACD | |
Akseptor H | 11 | (1) ACD | |
Donor H | 3 | (1) ACD | |
H Jumlah Donor/Akseptor | 14 | (1) ACD | |
catatan P | 5.198±0.644 | Suhu: 25 °C | (1) ACD |
Berat Molekul | 663.72 |
(1) Dihitung menggunakan Perangkat Lunak Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Struktur Terkait
Milik | Nilai | Kondisi | Sumber |
Luas Permukaan Kutub | 136 Halaman A2 | (1) ACD |
(1) Dihitung menggunakan Perangkat Lunak Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spektrum tersedia
1H NMR
NMR 13C