C10H12N2O5 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-one, 2,3,3a,9a-tetrah ydro-3-hydroxy-2-(hydroxymethyl)- 7-methyl-, (2R,3 R,3aS,9aR)- (9CI, ACI)
Tau Rehita CAS
22423-26-3
Nga Ahuatanga Tinana Matua | Uara | Tikanga |
Taumaha rāpoi | 240.21 | - |
Ira Whakarewa (Whakamatau) | 218 °C | Wairewa: Ewaro; Isopropanol |
Ira Kohua (I Matapaetia) | 452.0±55.0 °C | Perehi: 760 Torr |
Kiato (I Matapaetia) | 1.88±0.1 g/cm3 | Te Mahana: 20 °C; Perehi: 760 Torr |
pKa (I Matapaetia) | 12.56±0.60 | Te Mahana Waiwawa Nui: 25 °C |
NGĀ ATA KANONA
O=C1N=C2OC3C(O)C(OC3N2C=C1C)CO
NGĀ ATA ISOMER
O[C@H]1[C@]2([C@](N3C(O2)= NC(=O)C(C)=C3)(O[C@@H]1CO)[H])[ H]
InChI
InChI= 1S/C10H12N2O5/c1-4-2-12-9-7(6(14)5(3-13)16-9)17-10(12)11-8(4)15/h2,5- 7,9,13-14H,3H2,1H3/t5-,6-,7+,9-/m1/s1
InChI Kī
WLLOAUCNUMYOQI-JAGXHNFQSA-N
17 Ētahi atu Ingoa mō tēnei Matū
(2R,3 R,3aS,9aR)-2,3,3a,9a-Tetrahydro-3-hydroxy-2-(hydroxymethyl)-7-methyl-6H-furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-one (ACI);
6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-one, 2,3,3a,9a-tetrahydro-3-hydroxy-2-(hydroxymethyl)-7-methyl- (6CI, 7CI, 8CI); 6H-Furo
[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-one, 2,3,3a,9a-tetrahydro-3-hydroxy-2-(hydroxymethyl)-7-methyl-, [2R-(2α,3β,3aβ,9aβ)]- (ZCI);
11: PN: US20040014699 PAGE: 18 i kii te DNA; 12: PN: US20040005565 PAGE: 17- 22 i kii te DNA; 12: PN: US20040005570 PAGE: 18 i kii te DNA; 12: PN: US20040006029 PAGE: 21 i kii te DNA; 12: PN: US20040014051 PAGE: 21 i kii te DNA; 1: PN: WO20050 06958 PAGE: 59 i kii te DNA; 2,2′ -Anhydro(1- β -D-arabinofuranosyl)- 5-methyluracil; 3: PN: WO2005007825 PAGE: 59 i kii te DNA; 84: PN: US20040005707 PAGE: 18 i kii te DNA; 9: PN: US20040014048 PAGE: 19 i kii te DNA; 9: PN: US20040014049 PAGE: 19
i kii te DNA;O2,2′ -Anhydro-5-methyluridine; O2,2′ -Anhydro-5-methyluridine; TK 112690
Nga rawa e waatea ana
Ngawha
Taonga | Uara | Tikanga | Puna |
Te Whakarewarewa | 240-242 °C | (1) CAS | |
Te Whakarewarewa | 218 °C | Wairewa: Ewaro; Isopropanol | (2) CAS |
Te Whakarewarewa | Tirohia te Kuputuhi Katoa | (3) CAS | |
Te Whakarewarewa | Tirohia te Kuputuhi Katoa | (4) CAS |
(1) Oliveira, Maralise P.; Journal of the Brazilian Chemical Society, (2015), 26(4), 816-821, CAplus
(2) Takatsuki, Ken-ichi; Nucleosides, Nucleotides & Nucleic acids, (2006), 25(7), 719-734, CAplus
(3) Manoharan, Mutia; US20030088079, A1, 2003, CAplus
(4) Miraglia, Loren J.; WO2003048315, A2, 2003, CAplus
Kei te waatea te Spectra
1 H NMR
13 C NMR
Hetero NMR
Mass
Nga rawa e waatea ana
Koiora
Te matū
Kiato
Lipinski
Hanganga e Pa ana
Ngawha
Taonga | Uara | Tikanga | Puna |
Tauwehe Bioconcentration | 1.0 | pH 1; Te Mamahana: 25 °C | (1) ACD |
Tauwehe Bioconcentration | 1.0 | pH 2; Te Mamahana: 25 °C | (1) ACD |
Tauwehe Bioconcentration | 1.0 | pH 3; Te Mamahana: 25 °C | (1) ACD |
Tauwehe Bioconcentration | 1.0 | pH 4; Te Mamahana: 25 °C | (1) ACD |
Tauwehe Bioconcentration | 1.0 | pH 5; Te Mamahana: 25 °C | (1) ACD |
Tauwehe Bioconcentration | 1.0 | pH 6; Te Mamahana: 25 °C | (1) ACD |
Tauwehe Bioconcentration | 1.0 | pH 7; Te Mamahana: 25 °C | (1) ACD |
Tauwehe Bioconcentration | 1.0 | pH 8; Te Mamahana: 25 °C | (1) ACD |
Tauwehe Bioconcentration | 1.0 | pH 9; Te Mamahana: 25 °C | (1) ACD |
Tauwehe Bioconcentration | 1.0 | pH 10; Te Mamahana: 25 °C | (1) ACD |
(1) I tatauhia ma te whakamahi i te Whanaketanga Matū Ake (ACD/Labs) Pūmanawa V11.02 (© 1994-2023 ACD/Labs)
Taonga | Uara | Tikanga | Puna |
Koc | 12.9 | pH 1; Te Mamahana: 25 °C | (1) ACD |
Koc | 12.9 | pH 2; Te Mamahana: 25 °C | (1) ACD |
Koc | 12.9 | pH 3; Te Mamahana: 25 °C | (1) ACD |
Koc | 12.9 | pH 4; Te Mamahana: 25 °C | (1) ACD |
Koc | 12.9 | pH 5; Te Mamahana: 25 °C | (1) ACD |
Koc | 12.9 | pH 6; Te Mamahana: 25 °C | (1) ACD |
Koc | 12.9 | pH 7; Te Mamahana: 25 °C | (1) ACD |
Koc | 12.9 | pH 8; Te Mamahana: 25 °C | (1) ACD |
Koc | 12.9 | pH 9; Te Mamahana: 25 °C | (1) ACD |
Koc | 12.9 | pH 10; Te Mamahana: 25 °C | (1) ACD |
rangitakiD | -0.49 | pH 1; Te Mamahana: 25 °C | (1) ACD |
rangitakiD | -0.49 | pH 2; Te Mamahana: 25 °C | (1) ACD |
rangitakiD | -0.49 | pH 3; Te Mamahana: 25 °C | (1) ACD |
rangitakiD | -0.49 | pH 4; Te Mamahana: 25 °C | (1) ACD |
rangitakiD | -0.49 | pH 5; Te Mamahana: 25 °C | (1) ACD |
rangitakiD | -0.49 | pH 6; Te Mamahana: 25 °C | (1) ACD |
rangitakiD | -0.49 | pH 7; Te Mamahana: 25 °C | (1) ACD |
rangitakiD | -0.49 | pH 8; Te Mamahana: 25 °C | (1) ACD |
rangitakiD | -0.49 | pH 9; Te Mamahana: 25 °C | (1) ACD |
rangitakiD | -0.49 | pH 10; Te Mamahana: 25 °C | (1) ACD |
Taonga | Uara | Tikanga | Puna |
rangitakiP | -0.491±0.556 | Te Mamahana: 25 °C | (1) ACD |
Te Wairewa o roto | 3.1 g/L | Te Mamahana: 25 °C | (1) ACD |
Wairewa Papatipu | 3.1 g/L | pH 1; Te Mamahana: 25 °C | (1) ACD |
Wairewa Papatipu | 3.1 g/L | pH 2; Te Mamahana: 25 °C | (1) ACD |
Wairewa Papatipu | 3.1 g/L | pH 3; Te Mamahana: 25 °C | (1) ACD |
Wairewa Papatipu | 3.1 g/L | pH 4; Te Mamahana: 25 °C | (1) ACD |
Wairewa Papatipu | 3.1 g/L | pH 5; Te Mamahana: 25 °C | (1) ACD |
Wairewa Papatipu | 3.1 g/L | pH 6; Te Mamahana: 25 °C | (1) ACD |
Wairewa Papatipu | 3.1 g/L | pH 7; Te Mamahana: 25 °C | (1) ACD |
Wairewa Papatipu | 3.1 g/L | pH 8; Te Mamahana: 25 °C | (1) ACD |
Wairewa Papatipu | 3.1 g/L | pH 9; Te Mamahana: 25 °C | (1) ACD |
Wairewa Papatipu | 3.1 g/L | pH 10; Te Mamahana: 25 °C | (1) ACD |
Wairewa Papatipu | 3.1 g/L | Te Wai Whakakore pH 6.94; Te Mamahana: 25 °C | (1) ACD |
Molar Intrinsic Solubility | 0.013 mol/L | Te Mamahana: 25 °C | (1) ACD |
Molar Solubility | 0.013 mol/L | pH 1; Te Mamahana: 25 °C | (1) ACD |
Molar Solubility | 0.013 mol/L | pH 2; Te Mamahana: 25 °C | (1) ACD |
Molar Solubility | 0.013 mol/L | pH 3; Te Mamahana: 25 °C | (1) ACD |
Molar Solubility | 0.013 mol/L | pH 4; Te Mamahana: 25 °C | (1) ACD |
Molar Solubility | 0.013 mol/L | pH 5; Te Mamahana: 25 °C | (1) ACD |
Molar Solubility | 0.013 mol/L | pH 6; Te Mamahana: 25 °C | (1) ACD |
Molar Solubility | 0.013 mol/L | pH 7; Te Mamahana: 25 °C | (1) ACD |
Molar Solubility | 0.013 mol/L | pH 8; Te Mamahana: 25 °C | (1) ACD |
Molar Solubility | 0.013 mol/L | pH 9; Te Mamahana: 25 °C | (1) ACD |
Molar Solubility | 0.013 mol/L | pH 10; Te Mamahana: 25 °C | (1) ACD |
Molar Solubility | 0.013 mol/L | Te Wai Whakakore pH 6.94; Te Mamahana: 25 °C | (1) ACD |
Taumaha rāpoi | 240.21 | ||
pKa | 12.56±0.60 | Te Mahana Waiwawa Nui: 25 °C | (1) ACD |
pKa | -4.36±0.60 | Te Mahana Matua: 25 °C | (1) ACD |
Pehenga Kohu | 4.54 x 10-10 Torr | Te Mamahana: 25 °C | (1) ACD |
(1) I tatauhia ma te whakamahi i te Whanaketanga Matū Ake (ACD/Labs) Pūmanawa V11.02 (© 1994-2023 ACD/Labs)
Taonga | Uara | Tikanga | Puna |
Kiato | 1.88±0.1 g/cm3 | Te Mahana: 20 °C; Perehi: 760 Torr | (1) ACD |
Rōrahi Moara | 127.5±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)
Taonga | Uara | Tikanga | Puna |
Nga here e taea te huri noa | 3 | (1) ACD | |
H Nga Kaiwhiwhi | 7 | (1) ACD | |
H Nga Kaituku | 2 | (1) ACD | |
H Tapeke Kaituku/Kaiwhiwhi | 9 | (1) ACD | |
rangitakiP | -0.491±0.556 | Te Mamahana: 25 °C | (1) ACD |
Taumaha rāpoi | 240.21 |
(1) I tatauhia ma te whakamahi i te Whanaketanga Matū Ake (ACD/Labs) Pūmanawa V11.02 (© 1994-2023 ACD/Labs)
Taonga | Uara | Puna Tikanga |
Rohe Mata Polar | 91.6 A2 | (1) ACD |
(1) I tatauhia ma te whakamahi i te Whanaketanga Matū Ake (ACD/Labs) Pūmanawa V11.02 (© 1994-2023 ACD/Labs)
Taonga | Uara | Tikanga | Puna |
Kohuatanga | 452.0±55.0 °C | Perehi: 760 Torr | (1) ACD |
Enthalpy of Vaporization | 82.04±6.0 kJ/mol | Perehi: 760 Torr | (1) ACD |
Tohu Kohiko | 227.2±31.5 °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 ⁿ
1 H NMR
13 C NMR