C9H10N2O5 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-one, 2,3,3a,9a-tetrah ydro-3-hydroxy-2-(hydroxymethyl)- , (2R,3 R,3aS,9aR)- (9CI, ACI)
Tau Rehita CAS
3736-77-4
Nga Ahuatanga Tinana Matua | Uara | Tikanga |
Taumaha Molecular | 226.19 | - |
Ira Whakarewa (Whakamatau) | 234-235 °C | - |
Ira Kohua (I Matapaetia) | 456.3±55.0 °C | Perehi: 760 Torr |
Kiato (I Matapaetia) | 2.01±0.1 g/cm3 | Te Mahana: 20 °C; Perehi: 760 Torr |
pKa (I Matapaetia) | 12.55±0.40 | Te Mahana Waiwawa Nui: 25 °C |
NGĀ ATA KANONA
O=C1N=C2OC3C(O)C(OC3N2C=C1)CO
NGĀ ATA ISOMER
O[C@H]1[C@]2([C@](N3C(O2)= NC(=O)C=C3)(O[C@@H]1CO)[H])[H]
InChI
InChI= 1S/C9H10N2O5/c12-3-4-6(14)7-8(15-4)11-2-1-5(13)10-9(11)16-7/h1-2,4, 6-8,12,14H,3H2/t4-,6-,7+,8-/m1/s1
Kī InChI
UUGITDASWNOAGG-CCXZUQQUSA-N
13 Ētahi atu Ingoa mō tēnei Matū
(2R,3 R,3aS,9aR)-2,3,3a,9a-Tetrahydro-3-hydroxy-2-(hydroxymethyl)-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)- (6CI , 7CI); 6H-Furo[2′,3′:4,5]oxazolo[3,2-a] pyrimidin-6-one, 2,3,3a,9a-tetrahydro-3-hydroxy-2-(hydroxymethyl)-, [ 2R-(2α,3β,3aβ,9aβ)]- (ZCI); 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]
pyrimidin-6-one, 2,3,3a, 9a-tetrahydro-3-hydroxy-2-(hydroxymethyl)-, stereoisomer (8CI); 2,2′ -Anhydro(1- β -D-arabinofuranosyl)uracil; 2,2′ -Anhydro-1- β -D-arabino-furanosyluracil; 2,2′ -Anhydro-N1-(β -D-arabinofuranosyl)uracil; 2,2′ -Anhydrouridine; 2,2′ -O-Cyclouridine; NSC 157148; O2,2′ -Anhydrouridine; O2,2′ -Cyclouridine; β -D-2′,2-O-Cycloarabinouridine
Nga rawa e waatea ana
Optical me te Marara
Ngawha
Taonga | Uara | Tikanga | Puna |
Te Mana Hurihuri Optical | -19 deg | Wairewa: Methanol; λ: 589.3 nm; Te Mahana: 26 °C | (1) CAS |
(1) Codington, John F.; Journal of the American Chemical Society, (1961), 83, 5030-1, CAplus
Taonga | Uara | Tikanga | Puna |
Iwi Whakarewa | 250-253 °C | (1) CAS | |
Iwi Whakarewa | 246 °C | Wairewa: Ewaro; Isopropanol | (2) CAS |
Iwi Whakarewa | 242-245 °C | (3) CAS | |
Iwi Whakarewa | 242-243 °C | (4) CAS | |
Iwi Whakarewa | 236-238 °C (whakapoke) | (5) CAS | |
Iwi Whakarewa | 234 °C | (6) CAS | |
Iwi Whakarewa | 234-235 °C | (7) CAS | |
Iwi Whakarewa | 233-234 °C (decomp) | Wairewa: Mewaro | (8) CAS |
Iwi Whakarewa | Tirohia te Kuputuhi Katoa | (9) CAS |
(1) Lin, Kun-I.; Journal of the Chinese Chemical Society (Taipei, Taiwan), (2007), 54(2), 563-568, CAplus
(2) Takatsuki, Ken-ichi; Nucleosides, Nucleotides & Nucleic acids, (2006), 25(7), 719-734, CAplus
(3) Wnuk, Stanislaw F.; Journal of Organic Chemistry, (2002), 67(6), 1816-1819, CAplus
(4) Szlenkier, Maurycy; Nucleosides, Nucleotides & Nucleic acids, (2016), 35(8), 410-425, CAplus
(5) Marumoto, Ryuji; Takeda Kenkyusho Nenpo, (1967), 26, 21-3, CAplus
(6) Krizmanic, Irena; Tetrahedron, (2003), 59(23), 4047-4057, CAplus
(7) Brown, DM; Journal of the Chemical Society, (1958), 3035-8, CAplus
(8) Li, Heting; Whakawhitiwhiti Hangarite, (2006), 36(14), 1933-1940, CAplus
(9) Codington, John F.; Journal of the American Chemical Society, (1961), 83, 5030-1, CAplus
Kei te waatea te Spectra
1 H NMR
13 C NMR
IR
Kei te waatea te Spectra
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 | 7.66 | pH 1; Te Mamahana: 25 °C | (1) ACD |
Koc | 7.66 | pH 2; Te Mamahana: 25 °C | (1) ACD |
Koc | 7.66 | pH 3; Te Mamahana: 25 °C | (1) ACD |
Koc | 7.66 | pH 4; Te Mamahana: 25 °C | (1) ACD |
Koc | 7.66 | pH 5; Te Mamahana: 25 °C | (1) ACD |
Koc | 7.66 | pH 6; Te Mamahana: 25 °C | (1) ACD |
Koc | 7.66 | pH 7; Te Mamahana: 25 °C | (1) ACD |
Koc | 7.66 | pH 8; Te Mamahana: 25 °C | (1) ACD |
Taonga | Uara | Tikanga | Puna |
Koc | 7.66 | pH 9; Te Mamahana: 25 °C | (1) ACD |
Koc | 7.64 | pH 10; Te Mamahana: 25 °C | (1) ACD |
rangitakiD | -0.91 | pH 1; Te Mamahana: 25 °C | (1) ACD |
rangitakiD | -0.91 | pH 2; Te Mamahana: 25 °C | (1) ACD |
rangitakiD | -0.91 | pH 3; Te Mamahana: 25 °C | (1) ACD |
rangitakiD | -0.91 | pH 4; Te Mamahana: 25 °C | (1) ACD |
rangitakiD | -0.91 | pH 5; Te Mamahana: 25 °C | (1) ACD |
rangitakiD | -0.91 | pH 6; Te Mamahana: 25 °C | (1) ACD |
rangitakiD | -0.91 | pH 7; Te Mamahana: 25 °C | (1) ACD |
rangitakiD | -0.91 | pH 8; Te Mamahana: 25 °C | (1) ACD |
rangitakiD | -0.91 | pH 9; Te Mamahana: 25 °C | (1) ACD |
rangitakiD | -0.91 | pH 10; Te Mamahana: 25 °C | (1) ACD |
rangitakiP | -0.906±0.555 | Te Mamahana: 25 °C | (1) ACD |
Te Wairewa o roto | 4.7 g/L | Te Mamahana: 25 °C | (1) ACD |
Wairewa Papatipu | 4.7 g/L | pH 1; Te Mamahana: 25 °C | (1) ACD |
Wairewa Papatipu | 4.7 g/L | pH 2; Te Mamahana: 25 °C | (1) ACD |
Wairewa Papatipu | 4.7 g/L | pH 3; Te Mamahana: 25 °C | (1) ACD |
Wairewa Papatipu | 4.7 g/L | pH 4; Te Mamahana: 25 °C | (1) ACD |
Wairewa Papatipu | 4.7 g/L | pH 5; Te Mamahana: 25 °C | (1) ACD |
Wairewa Papatipu | 4.7 g/L | pH 6; Te Mamahana: 25 °C | (1) ACD |
Wairewa Papatipu | 4.7 g/L | pH 7; Te Mamahana: 25 °C | (1) ACD |
Wairewa Papatipu | 4.7 g/L | pH 8; Te Mamahana: 25 °C | (1) ACD |
Wairewa Papatipu | 4.7 g/L | pH 9; Te Mamahana: 25 °C | (1) ACD |
Wairewa Papatipu | 4.7 g/L | pH 10; Te Mamahana: 25 °C | (1) ACD |
Wairewa Papatipu | 4.7 g/L | Te Wai Whakakore pH 6.91; Te Mamahana: 25 °C | (1) ACD |
Molar Intrinsic Solubility | 0.021 mol/L | Te Mamahana: 25 °C | (1) ACD |
Molar Solubility | 0.021 mol/L | pH 1; Te Mamahana: 25 °C | (1) ACD |
Molar Solubility | 0.021 mol/L | pH 2; Te Mamahana: 25 °C | (1) ACD |
Molar Solubility | 0.021 mol/L | pH 3; Te Mamahana: 25 °C | (1) ACD |
Molar Solubility | 0.021 mol/L | pH 4; Te Mamahana: 25 °C | (1) ACD |
Molar Solubility | 0.021 mol/L | pH 5; Te Mamahana: 25 °C | (1) ACD |
Molar Solubility | 0.021 mol/L | pH 6; Te Mamahana: 25 °C | (1) ACD |
Taonga | Uara | Tikanga | Puna |
Molar Solubility | 0.021 mol/L | pH 7; Te Mamahana: 25 °C | (1) ACD |
Molar Solubility | 0.021 mol/L | pH 8; Te Mamahana: 25 °C | (1) ACD |
Molar Solubility | 0.021 mol/L | pH 9; Te Mamahana: 25 °C | (1) ACD |
Molar Solubility | 0.021 mol/L | pH 10; Te Mamahana: 25 °C | (1) ACD |
Molar Solubility | 0.021 mol/L | Te Wai Whakakore pH 6.91; Te Mamahana: 25 °C | (1) ACD |
Taumaha Molecular | 226.19 | ||
pKa | 12.55±0.40 | Te Mahana Waiwawa Nui: 25 °C | (1) ACD |
pKa | -4.68±0.60 | Te Mahana Matua: 25 °C | (1) ACD |
Pehenga Kohu | 3.04 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 | 2.01±0.1 g/cm3 | Te Mahana: 20 °C; Perehi: 760 Torr | (1) ACD |
Rōrahi Moara | 112.3±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 Kaikoha/Kaiwhina moni | 9 | (1) ACD | |
rangitakiP | -0.906±0.555 | Te Mamahana: 25 °C | (1) ACD |
Taumaha Molecular | 226.19 |
(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 | 456.3±55.0 °C | Perehi: 760 Torr | (1) ACD |
Taonga | Uara | Tikanga | Puna |
Enthalpy of Vaporization | 82.62±6.0 kJ/mol | Perehi: 760 Torr | (1) ACD |
Tohu Kohiko | 229.8±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
1 H NMR
13 C NMR
Puna Tauākī Pūmate Waehere | |
H302 He kino ki te horomia | Te Tari Matū a te Pakeha (ECHA) Whakarōpū me te Tapanga Inventory - Whakamōhiotanga whakarōpūtanga me te tapanga - te nuinga o nga whakamohiotanga, European Chemical Agency (ECHA) Te Whakar |