C10H12N2O5 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-tasi, 2,3,3a,9a-tetrah ydro-3-hydroxy-2-(hydroxymethyl)- 7-methyl-, (2R,3 R,3aS,9aR)- (9CI, ACI)

oloa

C10H12N2O5 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-tasi, 2,3,3a,9a-tetrah ydro-3-hydroxy-2-(hydroxymethyl)- 7-methyl-, (2R,3 R,3aS,9aR)- (9CI, ACI)

Fa'amatalaga Autu:


Fa'amatalaga Oloa

Faailoga o oloa

Auiliiliga Mea

Numera Resitala CAS

22423-26-3

Meatotino Faaletino Autu Taua Tulaga
Molecular Weight 240.21 -
Lisi Lisi (Fa'ata'ita'i) 218 °C Solvent: Ethanol; Isopropanol
Fa'apuna (Va'ai) 452.0±55.0 °C Lomitusi: 760 Torr
To'atele (Va'ai) 1.88±0.1 g/cm3 Maalili: 20 °C; Lomitusi: 760 Torr
pKa (vala'aina) 12.56±0.60 Le Tele o le Asi Sua: 25 °C

Isi Igoa ma Fa'ailoaga

ATAITAU Canonical

O=C1N=C2OC3C(O)C(OC3N2C=C1C)CO

Isomeric SMILES

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 Ki

WLLOAUCNUMYOQI-JAGXHNFQSA-N

17 Isi Igoa mo lea mea

(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-tasi (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 ITULAU: 18 fai mai DNA; 12: PN: US20040005565 ITULAU: 17- 22 fai mai DNA; 12: PN: US20040005570 ITULAU: 18 fai mai DNA; 12: PN: US20040006029 ITULAU: 21 fai mai DNA; 12: PN: US20040014051 ITULAU: 21 fai mai DNA; 1: PN: WO20050 06958 ITULAU: 59 fai mai DNA; 2,2′ -Anhydro(1- β -D-arabinofuranosyl)- 5-methyluracil; 3: PN: WO2005007825 ITULAU: 59 fai mai DNA; 84: PN: US20040005707 ITULAU: 18 fai mai DNA; 9: PN: US20040014048 ITULAU: 19 fai mai DNA; 9: PN: US20040014049 ITULAU: 19

DNA fai mai;O2,2′ -Anhydro-5-methyluridine; O2,2′ -Anhydro-5-methyluridine; TK 112690

Meatotino Fa'ata'ita'i

Meatotino avanoa
Mafanafana

Mafanafana

Meatotino Taua Tulaga Punavai
Lisi Lisi 240-242 °C (1) CAS
Lisi Lisi 218 °C Solvent: Ethanol; Isopropanol (2) CAS
Lisi Lisi Va'ai Tusitusiga Atoa (3) CAS
Lisi Lisi Va'ai Tusitusiga Atoa (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) Manohara, Mutia; US20030088079, A1, 2003, CAplus

(4) Miraglia, Loren J.; WO2003048315, A2, 2003, CAplus

Fa'ata'ita'iga Spectra

Spectra avanoabl
1 H NMR
13 C NMR
Hetero NMR
Misasa

Meatotino Va'ai

Meatotino avanoa
Fa'aolaola
Kemisi
Malosi
Lipinski
Fauga Faatatau
Mafanafana

Fa'aolaola

Meatotino Taua Tulaga Punavai
Bioconcentration Factor 1.0 pH 1; Maalili: 25 °C (1) ACD
Bioconcentration Factor 1.0 pH 2; Maalili: 25 °C (1) ACD
Bioconcentration Factor 1.0 pH 3; Maalili: 25 °C (1) ACD
Bioconcentration Factor 1.0 pH 4; Maalili: 25 °C (1) ACD
Bioconcentration Factor 1.0 pH 5; Maalili: 25 °C (1) ACD
Bioconcentration Factor 1.0 pH 6; Maalili: 25 °C (1) ACD
Bioconcentration Factor 1.0 pH 7; Maalili: 25 °C (1) ACD
Bioconcentration Factor 1.0 pH 8; Maalili: 25 °C (1) ACD
Bioconcentration Factor 1.0 pH 9; Maalili: 25 °C (1) ACD
Bioconcentration Factor 1.0 pH 10; Maalili: 25 °C (1) ACD

(1) Fa'atatau i le fa'aaogaina o le Atina'eina o Kemisi Maualuga (ACD/Labs) Polokalama V11.02 (© 1994-2023 ACD/Labs)

Kemisi

Meatotino Taua Tulaga Punavai
Koc 12.9 pH 1; Maalili: 25 °C (1) ACD
Koc 12.9 pH 2; Maalili: 25 °C (1) ACD
Koc 12.9 pH 3; Maalili: 25 °C (1) ACD
Koc 12.9 pH 4; Maalili: 25 °C (1) ACD
Koc 12.9 pH 5; Maalili: 25 °C (1) ACD
Koc 12.9 pH 6; Maalili: 25 °C (1) ACD
Koc 12.9 pH 7; Maalili: 25 °C (1) ACD
Koc 12.9 pH 8; Maalili: 25 °C (1) ACD
Koc 12.9 pH 9; Maalili: 25 °C (1) ACD
Koc 12.9 pH 10; Maalili: 25 °C (1) ACD
ogalaauD -0.49 pH 1; Maalili: 25 °C (1) ACD
ogalaauD -0.49 pH 2; Maalili: 25 °C (1) ACD
ogalaauD -0.49 pH 3; Maalili: 25 °C (1) ACD
ogalaauD -0.49 pH 4; Maalili: 25 °C (1) ACD
ogalaauD -0.49 pH 5; Maalili: 25 °C (1) ACD
ogalaauD -0.49 pH 6; Maalili: 25 °C (1) ACD
ogalaauD -0.49 pH 7; Maalili: 25 °C (1) ACD
ogalaauD -0.49 pH 8; Maalili: 25 °C (1) ACD
ogalaauD -0.49 pH 9; Maalili: 25 °C (1) ACD
ogalaauD -0.49 pH 10; Maalili: 25 °C (1) ACD

 

Meatotino Taua Tulaga Punavai
logP -0.491±0.556 Maalili: 25 °C (1) ACD
Mass Intrinsic Solubility 3.1 g/L Maalili: 25 °C (1) ACD
Mass Solubility 3.1 g/L pH 1; Maalili: 25 °C (1) ACD
Mass Solubility 3.1 g/L pH 2; Maalili: 25 °C (1) ACD
Mass Solubility 3.1 g/L pH 3; Maalili: 25 °C (1) ACD
Mass Solubility 3.1 g/L pH 4; Maalili: 25 °C (1) ACD
Mass Solubility 3.1 g/L pH 5; Maalili: 25 °C (1) ACD
Mass Solubility 3.1 g/L pH 6; Maalili: 25 °C (1) ACD
Mass Solubility 3.1 g/L pH 7; Maalili: 25 °C (1) ACD
Mass Solubility 3.1 g/L pH 8; Maalili: 25 °C (1) ACD
Mass Solubility 3.1 g/L pH 9; Maalili: 25 °C (1) ACD
Mass Solubility 3.1 g/L pH 10; Maalili: 25 °C (1) ACD
Mass Solubility 3.1 g/L Suavai e le fa'asaoina pH 6.94; Maalili: 25 °C (1) ACD
Molar Intrinsic Solubility 0.013 mol/L Maalili: 25 °C (1) ACD
Molar Solubility 0.013 mol/L pH 1; Maalili: 25 °C (1) ACD
Molar Solubility 0.013 mol/L pH 2; Maalili: 25 °C (1) ACD
Molar Solubility 0.013 mol/L pH 3; Maalili: 25 °C (1) ACD
Molar Solubility 0.013 mol/L pH 4; Maalili: 25 °C (1) ACD
Molar Solubility 0.013 mol/L pH 5; Maalili: 25 °C (1) ACD
Molar Solubility 0.013 mol/L pH 6; Maalili: 25 °C (1) ACD
Molar Solubility 0.013 mol/L pH 7; Maalili: 25 °C (1) ACD
Molar Solubility 0.013 mol/L pH 8; Maalili: 25 °C (1) ACD
Molar Solubility 0.013 mol/L pH 9; Maalili: 25 °C (1) ACD
Molar Solubility 0.013 mol/L pH 10; Maalili: 25 °C (1) ACD
Molar Solubility 0.013 mol/L Suavai e le fa'asaoina pH 6.94; Maalili: 25 °C (1) ACD
Molecular Weight 240.21    
pKa 12.56±0.60 Le Tele o le Asi Sua: 25 °C (1) ACD
pKa -4.36±0.60 Tele Su'esu'ega Autu: 25 °C (1) ACD
Omiga ausa 4.54 x 10-10 Torr Maalili: 25 °C (1) ACD

(1) Fa'atatau i le fa'aaogaina o le Atina'eina o Kemisi Maualuga (ACD/Labs) Polokalama V11.02 (© 1994-2023 ACD/Labs)

Meatotino Taua Tulaga Punavai
Malosi 1.88±0.1 g/cm3 Maalili: 20 °C; Lomitusi: 760 Torr (1) ACD
Molar Volume 127.5±7.0 cm3/mol Maalili: 20 °C; Lomitusi: 760 Torr (1) ACD

(1) Fa'atatau i le fa'aaogaina o le Atina'eina o Kemisi Maualuga (ACD/Labs) Polokalama V11.02 (© 1994-2023 ACD/Labs)

Lipinski

Meatotino Taua Tulaga Punavai
Noanoaga e mafai ona fesuia'i saoloto 3   (1) ACD
H Tagata talia 7   (1) ACD
H Donors 2   (1) ACD
H Fa'ameaalofa/Tagata Talia 9   (1) ACD
logP -0.491±0.556 Maalili: 25 °C (1) ACD
Molecular Weight 240.21    

(1) Fa'atatau i le fa'aaogaina o le Atina'eina o Kemisi Maualuga (ACD/Labs) Polokalama V11.02 (© 1994-2023 ACD/Labs)

Fauga Faatatau

Meatotino Taua Tulaga Punavai
Polar Surface Area 91.6 A2 (1) ACD

(1) Fa'atatau i le fa'aaogaina o le Atina'eina o Kemisi Maualuga (ACD/Labs) Polokalama V11.02 (© 1994-2023 ACD/Labs)

Mafanafana

Meatotino Taua Tulaga Punavai
Fa'apuna 452.0±55.0 °C Lomitusi: 760 Torr (1) ACD
Entalpy o le Ausa 82.04±6.0 kJ/mol Lomitusi: 760 Torr (1) ACD
Mata'imu 227.2±31.5 °C   (1) ACD

(1) Fa'atatau i le fa'aaogaina o le Atina'eina o Kemisi Maualuga (ACD/Labs) Polokalama V11.02 (© 1994-2023 ACD/Labs)

Va'aiga Spectra

Spectra avanoa ⁿ
1 H NMR
13 C NMR


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