C34H39N3O8 Cytidine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-(2-methox yethyl)-5-methyl- (9CI, ACI)
Nga Ahuatanga Tinana Matua | Uara | Tikanga |
Taumaha rāpoi | 617.69 | - |
Ira Kohua (I Matapaetia) | 762.6±70.0 °C | Perehi: 760 Torr |
Kiato (I Matapaetia) | 1.27±0.1 g/cm3 | Te Mahana: 20 °C; Perehi: 760 Torr |
pKa (I Matapaetia) | 13.31±0.70 | Te Mahana Waiwawa Nui: 25 °C |
MATE O=C1N=C(N)C(=CN1C2OC(COC(C=3C=CC=CC3)(C4=CC=C(OC)C=C4)C5=CC=C(OC)C=C5) C(O)C2OCCOC)C
NGĀ ATA ISOMER C(OC[C@H]1O[C@H]([C@H](OCCOC)[C@@H]1O)N2C(=O)N=C(N)C(C)=C2 )(C3=CC=C(OC)C=C3)(C4=CC=C(OC)C=C4)C5=CC=CC=C5
InChI
InChI=1S/C34H39N3O8/c1-22-20-37(33(39)36-31(22)35)32-30(43-19 -18-40-2)29(38)28(45-32)21-44-34(23-8-6-5-7-9-23,24-10-14-26(4) 1-3)15-11-24)25-12-16-27(42-4)17-13-25/h5-17,20,28-30,32,38H,18-19,21H2,1- 4H3,(H2,35,36,39)/t28-,29-,30-,32-/m1/s1
Kī InChI
LYKTVJJXZQTNPK-PBAMLIMUSA-N
24 Ētahi atu Ingoa mō tēnei Matū
5′-O-[Bis(4-methoxyphenyl)phenylmethyl]-2′-O-(2-methoxyethyl)-5-methylcytidine (ACI); 11: PN: US20030170636 PAGE: 17 kerēme RNA; 12: PN: US20030211606 PAGE: 18 i kii R NA; 12: PN: US20030212017 PAGE: 19 i kii R NA; 14: PN: US20040005569 PAG E: 21 i kii R NA; 15: PN: US20040005565 PAGE: 17- 22 kerēme RNA; 15: PN: US20040005570 PAGE: 19 i kii R NA; 15: PN: U S20040006030 PAGE: 22 i kii R NA; 15: PN: US20040014048 PAGE: 19 i kii R NA; 16: PN: US20030171313 PAGE: 9 i kii te RNA; 16: PN: US20030198965 PAGE: 19 i kii R NA; 16: PN: US20040014047 PAGE: 19 i kii R NA; 16: PN: US20040014049 PAGE:
19 i kii he RNA; 17: PN: US20040014051 PAGE: 21 i kii R NA; 17: PN: US20040014699 PAGE: 19 i kii R NA; 17: PN: W
O03106645 PAGE: 69 i kii R NA; 18: PN: US20040006029 PAGE: 22 i kii R NA; 2′-O-Methoxyethyl-5′-O-dimethoxytrityl-5- methylcytidine; 58: PN: US20030166592 PAGE: 15 i kii R NA; 5: PN: WO2005006958 PAGE: 61 i kii R NA; 7: PN: WO20050 07825 PAGE: 61 i kii R NA; 82: PN: US20040171566 PAGE: 18 i kii R NA; 89: PN: US20040005707 PAGE: 19 i kii R NA; 9: PN: WO03084478 PAGE: 56 i kii R NA
Nga rawa e waatea ana |
Koiora |
Te matū |
Kiato |
Lipinski |
Hanganga e Pa ana |
Ngawha |
Koiora
Taonga | Uara | Tikanga | Puna |
Tauwehe Bioconcentration | 1.56 | pH 1; Te Mahana: 25 °C | (1) ACD |
Tauwehe Bioconcentration | 1.99 | pH 2; Te Mahana: 25 °C | (1) ACD |
Tauwehe Bioconcentration | 6.19 | pH 3; Te Mahana: 25 °C | (1) ACD |
Tauwehe Bioconcentration | 38.0 | pH 4; Te Mahana: 25 °C | (1) ACD |
Tauwehe Bioconcentration | 116 | pH 5; Te Mahana: 25 °C | (1) ACD |
Tauwehe Bioconcentration | 146 | pH 6; Te Mahana: 25 °C | (1) ACD |
Tauwehe Bioconcentration | 150 | pH 7; Te Mahana: 25 °C | (1) ACD |
Tauwehe Bioconcentration | 151 | pH 8; Te Mahana: 25 °C | (1) ACD |
Tauwehe Bioconcentration | 151 | pH 9; Te Mahana: 25 °C | (1) ACD |
Tauwehe Bioconcentration | 151 | pH 10; Te Mahana: 25 °C | (1) ACD |
(1) I tatauhia ma te whakamahi i te Whanaketanga Matū Ake (ACD/Labs) Pūmanawa V11.02 (© 1994-2023 ACD/Labs)
Te matū
Taonga | Uara | Tikanga | Puna |
Koc | 13.0 | pH 1; Te Mahana: 25 °C | (1) ACD |
Koc | 16.6 | pH 2; Te Mahana: 25 °C | (1) ACD |
Koc | 51.8 | pH 3; Te Mahana: 25 °C | (1) ACD |
Koc | 318 | pH 4; Te Mahana: 25 °C | (1) ACD |
Koc | 966 | pH 5; Te Mahana: 25 °C | (1) ACD |
Koc | 1220 | pH 6; Te Mahana: 25 °C | (1) ACD |
Koc | 1260 | pH 7; Te Mahana: 25 °C | (1) ACD |
Taonga | Uara | Tikanga | Puna |
Koc | 1260 | pH 8; Te Mahana: 25 °C | (1) ACD |
Koc | 1260 | pH 9; Te Mahana: 25 °C | (1) ACD |
Koc | 1260 | pH 10; Te Mahana: 25 °C | (1) ACD |
rangitakiD | 1.18 | pH 1; Te Mahana: 25 °C | (1) ACD |
rangitakiD | 1.29 | pH 2; Te Mahana: 25 °C | (1) ACD |
rangitakiD | 1.78 | pH 3; Te Mahana: 25 °C | (1) ACD |
rangitakiD | 2.57 | pH 4; Te Mahana: 25 °C | (1) ACD |
rangitakiD | 3.05 | pH 5; Te Mahana: 25 °C | (1) ACD |
rangitakiD | 3.16 | pH 6; Te Mahana: 25 °C | (1) ACD |
rangitakiD | 3.17 | pH 7; Te Mahana: 25 °C | (1) ACD |
rangitakiD | 3.17 | pH 8; Te Mahana: 25 °C | (1) ACD |
rangitakiD | 3.17 | pH 9; Te Mahana: 25 °C | (1) ACD |
rangitakiD | 3.17 | pH 10; Te Mahana: 25 °C | (1) ACD |
rangitakiP | 3.169±0.598 | Te Mahana: 25 °C | (1) ACD |
Te Wairewa o roto | 5.2 x 10-3 g/L | Te Mahana: 25 °C | (1) ACD |
Wairewa Papatipu | 0.51 g/L | pH 1; Te Mahana: 25 °C | (1) ACD |
Wairewa Papatipu | 0.40 g/L | pH 2; Te Mahana: 25 °C | (1) ACD |
Wairewa Papatipu | 0.13 g/L | pH 3; Te Mahana: 25 °C | (1) ACD |
Wairewa Papatipu | 0.020 g/L | pH 4; Te Mahana: 25 °C | (1) ACD |
Wairewa Papatipu | 6.8 x 10-3 g/L | pH 5; Te Mahana: 25 °C | (1) ACD |
Wairewa Papatipu | 5.4 x 10-3 g/L | pH 6; Te Mahana: 25 °C | (1) ACD |
Wairewa Papatipu | 5.3 x 10-3 g/L | pH 7; Te Mahana: 25 °C | (1) ACD |
Wairewa Papatipu | 5.2 x 10-3 g/L | pH 8; Te Mahana: 25 °C | (1) ACD |
Wairewa Papatipu | 5.2 x 10-3 g/L | pH 9; Te Mahana: 25 °C | (1) ACD |
Wairewa Papatipu | 5.2 x 10-3 g/L | pH 10; Te Mahana: 25 °C | (1) ACD |
Wairewa Papatipu | 5.3 x 10-3 g/L | Te Wai Whakakore pH 7.05; Te Mahana: 25 °C | (1) ACD |
Molar Intrinsic Solubility | 8.4 x 10-6 mol/L | Te Mahana: 25 °C | (1) ACD |
Molar Solubility | 8.2 x 10-4 mol/L | pH 1; Te Mahana: 25 °C | (1) ACD |
Molar Solubility | 6.4 x 10-4 mol/L | pH 2; Te Mahana: 25 °C | (1) ACD |
Molar Solubility | 2.1 x 10-4 mol/L | pH 3; Te Mahana: 25 °C | (1) ACD |
Molar Solubility | 3.3 x 10-5 mol/L | pH 4; Te Mahana: 25 °C | (1) ACD |
Molar Solubility | 1.1 x 10-5 mol/L | pH 5; Te Mahana: 25 °C | (1) ACD |
Taonga | Uara | Tikanga | Puna |
Molar Solubility | 8.7 x 10-6 mol/L | pH 6; Te Mahana: 25 °C | (1) ACD |
Molar Solubility | 8.5 x 10-6 mol/L | pH 7; Te Mahana: 25 °C | (1) ACD |
Molar Solubility | 8.4 x 10-6 mol/L | pH 8; Te Mahana: 25 °C | (1) ACD |
Molar Solubility | 8.4 x 10-6 mol/L | pH 9; Te Mahana: 25 °C | (1) ACD |
Molar Solubility | 8.4 x 10-6 mol/L | pH 10; Te Mahana: 25 °C | (1) ACD |
Molar Solubility | 8.5 x 10-6 mol/L | Te Wai Whakakore pH 7.05; Te Mahana: 25 °C | (1) ACD |
Taumaha rāpoi | 617.69 | ||
pKa | 13.31±0.70 | Te Mahana Waiwawa Nui: 25 °C | (1) ACD |
pKa | 4.58±0.10 | Te Mahana Matua: 25 °C | (1) ACD |
Pehenga Kohu | 1.89 x 10-24 Torr | Te Mahana: 25 °C | (1) ACD |
(1) I tatauhia ma te whakamahi i te Whanaketanga Matū Ake (ACD/Labs) Pūmanawa V11.02 (© 1994-2023 ACD/Labs)
Kiato
Taonga | Uara | Tikanga | Puna |
Kiato | 1.27±0.1 g/cm3 | Te Mahana: 20 °C; Perehi: 760 Torr | (1) ACD |
Rōrahi Moara | 483.8±7.0 cm3/mol | Te Mahana: 20 °C; Perehi: 760 Torr | (1) ACD |
(1) I tatauhia ma te whakamahi i te Whanaketanga Matū Ake (ACD/Labs) Pūmanawa V11.02 (© 1994-2023 ACD/Labs)
Lipinski
Taonga | Uara | Tikanga | Puna |
Nga here e taea te huri noa | 14 | (1) ACD | |
H Nga Kaiwhiwhi | 11 | (1) ACD | |
H Nga Kaituku | 3 | (1) ACD | |
H Tapeke Kaituku/Kaiwhiwhi | 14 | (1) ACD | |
rangitakiP | 3.169±0.598 | Te Mahana: 25 °C | (1) ACD |
Taumaha rāpoi | 617.69 |
(1) I tatauhia ma te whakamahi i te Whanaketanga Matū Ake (ACD/Labs) Pūmanawa V11.02 (© 1994-2023 ACD/Labs)
Hanganga e Pa ana
Taonga | Uara | Tikanga | Puna |
Rohe Mata Polar | 134 A2 | (1) ACD |
(1) I tatauhia ma te whakamahi i te Whanaketanga Matū Ake (ACD/Labs) Pūmanawa V11.02 (© 1994-2023 ACD/Labs)
Ngawha
Taonga | Uara | Tikanga | Puna |
Kohuatanga | 762.6±70.0 °C | Perehi: 760 Torr | (1) ACD |
Enthalpy of Vaporization | 116.53±3.0 kJ/mol | Perehi: 760 Torr | (1) ACD |
Tohu Kohiko | 415.0±35.7 °C | (1) ACD |
(1) I tatauhia ma te whakamahi i te Whanaketanga Matū Ake (ACD/Labs) Pūmanawa V11.02 (© 1994-2023 ACD/Labs)
Kei te waatea te Spectra
1H NMR
13C NMR