![C30H28N2O7 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-one, 2-[[bis(4-methoxy phenyl)phenylmethoxy]methyl]-2,3,3a,9a-tetrahydro-3-hydroxy-, (2R)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C30H28N2O7 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-one, 2-[[bis(4-methoxy phenyl)phenylmethoxy]methyl]-2,3,3a,9a-tetrahydro-3-hydroxy-, (2R) Atahanga Whakaatu](https://cdn.globalso.com/nvchem/C30H28N2O7-6H-Furo.jpg)
C30H28N2O7 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-one, 2-[[bis(4-methoxy phenyl)phenylmethoxy]methyl]-2,3,3a,9a-tetrahydro-3-hydroxy-, (2R)
| Nga Ahuatanga Tinana Matua | Uara | Tikanga |
| Taumaha rāpoi | 528.55 | - |
| Ira Whakarewa (Whakamatau) | 129.5-130 °C | - |
| Ira Kohua (I Matapaetia) | 688.2±65.0 °C | Perehi: 760 Torr |
| Kiato (I Matapaetia) | 1.35±0.1 g/cm3 | Te Mahana: 20 °C; Perehi: 760 Torr |
| pKa (I matapaetia) | 12.51±0.40 | Te Mahana Waiwawa Nui: 25 °C |
MATE O=C1N=C2OC3C(O)C(OC3N2C=C1)COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5)C6=CC=C(OC)C=C6
NGĀ MAHI Isomerik C(OC[C@H]1O[C@@]2([C@]([C@@H]1O)(OC=3N2C=CC(=O)N3)[H])[H])(C4=CC=C(OC)C=C4)(C5=CC=C(OC)C=C5)C6
InChI
InChI=1S/C30H28N2O7/c1-35-22-12-8-20(9-13-22)30(19-6-4-3-5-7- 19,21-10-14-23(36-2)15-11-21)37-18-24-26(34)27-28(38-24)32-17- 16-25(33)31-29(32)39-27/h3-17,24,26-28,34H,18H2,1-2H3/t24-,26-,27+,28-/m1/s1
Kī InChI
OEIRLWHCGAICDW-AOGFTHLWSA-N
2 Ētahi atu Ingoa mō tēnei Matū
(2R,3R,3aS,9aR)-2-[[Bis(4-methoxyphenyl)phenylmethoxy]methyl]-2,3,3a,9a-tetrahydro-3-hydroxy-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-[[bis(4-methoxyphenyl)phenylmethoxy]methyl]-2,3,3a,9a-
tetrahydro-3-hydroxy-, [2R-(2α,3β,3aβ,9aβ)]- (ZCI)
| Nga rawa e waatea ana |
| Ngawha |
Ngawha
| Taonga | Uara | Tikanga | Puna |
| Iwi Whakarewa | 129.5-130 °C | (1) CAS | |
(1) Szlenkier, Maurycy; Nucleosides, Nucleotides & Nucleic acids, (2016), 35(8), 410-425, CAplus
| Kei te waatea te Spectra |
| 1H NMR |
| 13C NMR |
| IR |
| Mass |
Nga Taonga Matapae
| Nga rawa e waatea ana |
| Koiora |
| Te matū |
| Kiato |
| Lipinski |
| Hanganga e Pa ana |
| Ngawha |
Koiora
| Taonga | Uara | Tikanga | Puna |
| Tauwehe Bioconcentration | 1360 | pH 1; Te Mahana: 25 °C | (1) ACD |
| Tauwehe Bioconcentration | 1360 | pH 2; Te Mahana: 25 °C | (1) ACD |
| Tauwehe Bioconcentration | 1360 | pH 3; Te Mahana: 25 °C | (1) ACD |
| Tauwehe Bioconcentration | 1360 | pH 4; Te Mahana: 25 °C | (1) ACD |
| Tauwehe Bioconcentration | 1360 | pH 5; Te Mahana: 25 °C | (1) ACD |
| Tauwehe Bioconcentration | 1360 | pH 6; Te Mahana: 25 °C | (1) ACD |
| Tauwehe Bioconcentration | 1360 | pH 7; Te Mahana: 25 °C | (1) ACD |
| Taonga | Uara | Tikanga | Puna |
| Tauwehe Bioconcentration | 1360 | pH 8; Te Mahana: 25 °C | (1) ACD |
| Tauwehe Bioconcentration | 1360 | pH 9; Te Mahana: 25 °C | (1) ACD |
| Tauwehe Bioconcentration | 1350 | 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 | 6080 | pH 1; Te Mahana: 25 °C | (1) ACD |
| Koc | 6080 | pH 2; Te Mahana: 25 °C | (1) ACD |
| Koc | 6080 | pH 3; Te Mahana: 25 °C | (1) ACD |
| Koc | 6080 | pH 4; Te Mahana: 25 °C | (1) ACD |
| Koc | 6080 | pH 5; Te Mahana: 25 °C | (1) ACD |
| Koc | 6080 | pH 6; Te Mahana: 25 °C | (1) ACD |
| Koc | 6080 | pH 7; Te Mahana: 25 °C | (1) ACD |
| Koc | 6080 | pH 8; Te Mahana: 25 °C | (1) ACD |
| Koc | 6070 | pH 9; Te Mahana: 25 °C | (1) ACD |
| Koc | 6060 | pH 10; Te Mahana: 25 °C | (1) ACD |
| rangitakiD | 4.42 | pH 1; Te Mahana: 25 °C | (1) ACD |
| rangitakiD | 4.42 | pH 2; Te Mahana: 25 °C | (1) ACD |
| rangitakiD | 4.42 | pH 3; Te Mahana: 25 °C | (1) ACD |
| rangitakiD | 4.42 | pH 4; Te Mahana: 25 °C | (1) ACD |
| rangitakiD | 4.42 | pH 5; Te Mahana: 25 °C | (1) ACD |
| rangitakiD | 4.42 | pH 6; Te Mahana: 25 °C | (1) ACD |
| rangitakiD | 4.42 | pH 7; Te Mahana: 25 °C | (1) ACD |
| rangitakiD | 4.42 | pH 8; Te Mahana: 25 °C | (1) ACD |
| rangitakiD | 4.42 | pH 9; Te Mahana: 25 °C | (1) ACD |
| rangitakiD | 4.42 | pH 10; Te Mahana: 25 °C | (1) ACD |
| rangitakiP | 4.424±0.618 | Te Mahana: 25 °C | (1) ACD |
| Te Wairewa o roto | 5.8 x 10-4 g/L | Te Mahana: 25 °C | (1) ACD |
| Wairewa Papatipu | 5.8 x 10-4 g/L | pH 1; Te Mahana: 25 °C | (1) ACD |
| Wairewa Papatipu | 5.8 x 10-4 g/L | pH 2; Te Mahana: 25 °C | (1) ACD |
| Wairewa Papatipu | 5.8 x 10-4 g/L | pH 3; Te Mahana: 25 °C | (1) ACD |
| Wairewa Papatipu | 5.8 x 10-4 g/L | pH 4; Te Mahana: 25 °C | (1) ACD |
| Wairewa Papatipu | 5.8 x 10-4 g/L | pH 5; Te Mahana: 25 °C | (1) ACD |
| Taonga | Uara | Tikanga | Puna |
| Wairewa Papatipu | 5.8 x 10-4 g/L | pH 6; Te Mahana: 25 °C | (1) ACD |
| Wairewa Papatipu | 5.8 x 10-4 g/L | pH 7; Te Mahana: 25 °C | (1) ACD |
| Wairewa Papatipu | 5.8 x 10-4 g/L | pH 8; Te Mahana: 25 °C | (1) ACD |
| Wairewa Papatipu | 5.8 x 10-4 g/L | pH 9; Te Mahana: 25 °C | (1) ACD |
| Wairewa Papatipu | 5.8 x 10-4 g/L | pH 10; Te Mahana: 25 °C | (1) ACD |
| Wairewa Papatipu | 5.8 x 10-4 g/L | Te Wai Whakakore pH 7.00; Te Mahana: 25 °C | (1) ACD |
| Molar Intrinsic Solubility | 1.1 x 10-6 mol/L | Te Mahana: 25 °C | (1) ACD |
| Molar Solubility | 1.1 x 10-6 mol/L | pH 1; Te Mahana: 25 °C | (1) ACD |
| Molar Solubility | 1.1 x 10-6 mol/L | pH 2; Te Mahana: 25 °C | (1) ACD |
| Molar Solubility | 1.1 x 10-6 mol/L | pH 3; Te Mahana: 25 °C | (1) ACD |
| Molar Solubility | 1.1 x 10-6 mol/L | pH 4; Te Mahana: 25 °C | (1) ACD |
| Molar Solubility | 1.1 x 10-6 mol/L | pH 5; Te Mahana: 25 °C | (1) ACD |
| Molar Solubility | 1.1 x 10-6 mol/L | pH 6; Te Mahana: 25 °C | (1) ACD |
| Molar Solubility | 1.1 x 10-6 mol/L | pH 7; Te Mahana: 25 °C | (1) ACD |
| Molar Solubility | 1.1 x 10-6 mol/L | pH 8; Te Mahana: 25 °C | (1) ACD |
| Molar Solubility | 1.1 x 10-6 mol/L | pH 9; Te Mahana: 25 °C | (1) ACD |
| Molar Solubility | 1.1 x 10-6 mol/L | pH 10; Te Mahana: 25 °C | (1) ACD |
| Molar Solubility | 1.1 x 10-6 mol/L | Te Wai Whakakore pH 7.00; Te Mahana: 25 °C | (1) ACD |
| Taumaha rāpoi | 528.55 | ||
| pKa | 12.51±0.40 | Te Mahana Waiwawa Nui: 25 °C | (1) ACD |
| pKa | -4.70±0.60 | Te Mahana Matua: 25 °C | (1) ACD |
| Pehenga Kohu | 6.91 x 10-20 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 | 1.35±0.1 g/cm3 | Te Mahana: 20 °C; Perehi: 760 Torr | (1) ACD |
| Rōrahi Moara | 389.8±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 | 9 | (1) ACD | |
| Taonga | Uara | Tikanga | Puna |
| H Nga Kaiwhiwhi | 9 | (1) ACD | |
| H Nga Kaituku | 1 | (1) ACD | |
| H Kaikoha/Kaiwhina moni | 10 | (1) ACD | |
| rangitakiP | 4.424±0.618 | Te Mahana: 25 °C | (1) ACD |
| Taumaha rāpoi | 528.55 |
(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 | 99.1 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 | 688.2±65.0 °C | Perehi: 760 Torr | (1) ACD |
| Enthalpy of Vaporization | 105.96±3.0 kJ/mol | Perehi: 760 Torr | (1) ACD |
| Tohu Kohiko | 370.0±34.3 °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
![C44H49N5O7Si Adenosine, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′- O-[(1,1-dimethylethyl)dimethylsilyl]- (9CI, ACI)](https://cdn.globalso.com/nvchem/C44H49N5O7Si-Adenosine-300x300.jpg)
![C17H19N3O6 Timidine, α -oxo- α -[(phenylmethyl)amino]- (ACI)](https://cdn.globalso.com/nvchem/C17H19N3O6-Thymidine-300x300.png)
![C39H46FN4O8P Uridine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -deoxy-2′ – fluoro-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite] (ACI)](https://cdn.globalso.com/nvchem/C39H46FN4O8P-Uridine-300x300.png)
![C40H49N4O9P Uridine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-methyl-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl)phosphoramide] (ACI)](https://cdn.globalso.com/nvchem/C40H49N4O9P-Uridine-300x300.png)
![C21H21N3O6 Timidine, α – [(1-naphthalenylmethyl)amino]- α -oxo- (ACI)](https://cdn.globalso.com/nvchem/C21H21N3O6-Thymidine-300x300.png)