C9H10N2O5 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-tasi, 2,3,3a,9a-tetrah ydro-3-hydroxy-2-(hydroxymethyl)- , (2R,3 R,3aS,9aR)- (9CI, ACI)

oloa

C9H10N2O5 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-tasi, 2,3,3a,9a-tetrah ydro-3-hydroxy-2-(hydroxymethyl)- , (2R,3 R,3aS,9aR)- (9CI, ACI)

Fa'amatalaga Autu:


Fa'amatalaga Oloa

Faailoga o oloa

Auiliiliga Mea

Numera Resitala CAS

3736-77-4

Meatotino Faaletino Autu Taua Tulaga
Molecular Weight 226.19 -
Lisi Lisi (Fa'ata'ita'i) 234-235 °C -
Fa'apuna (Va'ai) 456.3±55.0 °C Lomitusi: 760 Torr
To'atele (Va'ai) 2.01±0.1 g/cm3 Maalili: 20 °C; Lomitusi: 760 Torr
pKa (vala'aina) 12.55±0.40 Le Tele o le Asi Sua: 25 °C

Isi Igoa ma Fa'ailoaga

ATAITAU Canonical
O=C1N=C2OC3C(O)C(OC3N2C=C1)CO
Isomeric SMILES
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
InChI Ki
UUGITDASWNOAGG-CCXZUQQUSA-N
13 Isi Igoa mo lea mea
(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-tasi (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-tasi, 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

Meatotino Fa'ata'ita'i

Meatotino avanoa
Optical ma Fa'asalalau
Mafanafana

Optical ma Scatering

Meatotino Taua Tulaga Punavai
Malosi Fa'ata'amilo Mata -19 deg Solvent: Methanol; λ: 589.3 nm; Maalili: 26 °C (1) CAS

(1) Codington, John F.; Tusitala a le American Chemical Society, (1961), 83, 5030-1, CAplus

Mafanafana

Meatotino Taua Tulaga Punavai
Lisi Lisi 250-253 °C   (1) CAS
Lisi Lisi 246 °C Solvent: Ethanol; Isopropanol (2) CAS
Lisi Lisi 242-245 °C   (3) CAS
Lisi Lisi 242-243 °C   (4) CAS
Lisi Lisi 236-238 °C (fa'apala)   (5) CAS
Lisi Lisi 234 °C   (6) CAS
Lisi Lisi 234-235 °C   (7) CAS
Lisi Lisi 233-234 °C (fa'apala) Solvent: Methanol (8) CAS
Lisi Lisi Va'ai Tusitusiga Atoa   (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; Feso'ota'iga fa'akomepiuta, (2006), 36(14), 1933-1940, CAplus

(9) Codington, John F.; Tusitala a le American Chemical Society, (1961), 83, 5030-1, CAplus

Fa'ata'ita'iga Spectra

Spectra avanoa
1 H NMR
13 C NMR
IR
Spectra avanoa
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 7.66 pH 1; Maalili: 25 °C (1) ACD
Koc 7.66 pH 2; Maalili: 25 °C (1) ACD
Koc 7.66 pH 3; Maalili: 25 °C (1) ACD
Koc 7.66 pH 4; Maalili: 25 °C (1) ACD
Koc 7.66 pH 5; Maalili: 25 °C (1) ACD
Koc 7.66 pH 6; Maalili: 25 °C (1) ACD
Koc 7.66 pH 7; Maalili: 25 °C (1) ACD
Koc 7.66 pH 8; Maalili: 25 °C (1) ACD

 

Meatotino Taua Tulaga Punavai
Koc 7.66 pH 9; Maalili: 25 °C (1) ACD
Koc 7.64 pH 10; Maalili: 25 °C (1) ACD
ogalaauD -0.91 pH 1; Maalili: 25 °C (1) ACD
ogalaauD -0.91 pH 2; Maalili: 25 °C (1) ACD
ogalaauD -0.91 pH 3; Maalili: 25 °C (1) ACD
ogalaauD -0.91 pH 4; Maalili: 25 °C (1) ACD
ogalaauD -0.91 pH 5; Maalili: 25 °C (1) ACD
ogalaauD -0.91 pH 6; Maalili: 25 °C (1) ACD
ogalaauD -0.91 pH 7; Maalili: 25 °C (1) ACD
ogalaauD -0.91 pH 8; Maalili: 25 °C (1) ACD
ogalaauD -0.91 pH 9; Maalili: 25 °C (1) ACD
ogalaauD -0.91 pH 10; Maalili: 25 °C (1) ACD
logP -0.906±0.555 Maalili: 25 °C (1) ACD
Mass Intrinsic Solubility 4.7 g/L Maalili: 25 °C (1) ACD
Mass Solubility 4.7 g/L pH 1; Maalili: 25 °C (1) ACD
Mass Solubility 4.7 g/L pH 2; Maalili: 25 °C (1) ACD
Mass Solubility 4.7 g/L pH 3; Maalili: 25 °C (1) ACD
Mass Solubility 4.7 g/L pH 4; Maalili: 25 °C (1) ACD
Mass Solubility 4.7 g/L pH 5; Maalili: 25 °C (1) ACD
Mass Solubility 4.7 g/L pH 6; Maalili: 25 °C (1) ACD
Mass Solubility 4.7 g/L pH 7; Maalili: 25 °C (1) ACD
Mass Solubility 4.7 g/L pH 8; Maalili: 25 °C (1) ACD
Mass Solubility 4.7 g/L pH 9; Maalili: 25 °C (1) ACD
Mass Solubility 4.7 g/L pH 10; Maalili: 25 °C (1) ACD
Mass Solubility 4.7 g/L Suavai e le fa'afefe pH 6.91; Maalili: 25 °C (1) ACD
Molar Intrinsic Solubility 0.021 mol/L Maalili: 25 °C (1) ACD
Molar Solubility 0.021 mol/L pH 1; Maalili: 25 °C (1) ACD
Molar Solubility 0.021 mol/L pH 2; Maalili: 25 °C (1) ACD
Molar Solubility 0.021 mol/L pH 3; Maalili: 25 °C (1) ACD
Molar Solubility 0.021 mol/L pH 4; Maalili: 25 °C (1) ACD
Molar Solubility 0.021 mol/L pH 5; Maalili: 25 °C (1) ACD
Molar Solubility 0.021 mol/L pH 6; Maalili: 25 °C (1) ACD

 

Meatotino Taua Tulaga Punavai
Molar Solubility 0.021 mol/L pH 7; Maalili: 25 °C (1) ACD
Molar Solubility 0.021 mol/L pH 8; Maalili: 25 °C (1) ACD
Molar Solubility 0.021 mol/L pH 9; Maalili: 25 °C (1) ACD
Molar Solubility 0.021 mol/L pH 10; Maalili: 25 °C (1) ACD
Molar Solubility 0.021 mol/L Suavai e le fa'afefe pH 6.91; Maalili: 25 °C (1) ACD
Molecular Weight 226.19    
pKa 12.55±0.40 Le Tele o le Asi Sua: 25 °C (1) ACD
pKa -4.68±0.60 Tele Su'esu'ega Autu: 25 °C (1) ACD
Omiga ausa 3.04 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)

Malosi

Meatotino Taua Tulaga Punavai
Malosi 2.01±0.1 g/cm3 Maalili: 20 °C; Lomitusi: 760 Torr (1) ACD
Molar Volume 112.3±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 -0.906±0.555 Maalili: 25 °C (1) ACD
Molecular Weight 226.19

(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 456.3±55.0 °C Lomitusi: 760 Torr (1) ACD

 

Meatotino Taua Tulaga Punavai
Entalpy o le Ausa 82.62±6.0 kJ/mol Lomitusi: 760 Torr (1) ACD
Mata'imu 229.8±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
1 H NMR
13 C NMR

Fa'amatalaga o Tulaga Lamatia o le GHS

Fa'amatalaga Fa'amatalaga o Tulaga Lamatia
H302 E afaina pe a foloina European Chemical Agency (ECHA) Fa'avasegaina & Fa'ailoga

Inventory - Fa'ailoaina le fa'avasegaina ma le fa'ailoga - fa'amatalaga masani, European Chemical Agency (ECHA)

Fa'avasegaga & Fa'ailoga Fa'ailoga - Fa'ailoaina le fa'avasegaina ma le fa'ailoga - fa'amatalaga sili ona ogaoga


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