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

samfur

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

Bayanan asali:


Cikakken Bayani

Tags samfurin

Bayanin Abu

Lambar Rijistar CAS

22423-26-3

Mabuɗin Abubuwan Jiki Daraja Sharadi
Nauyin Kwayoyin Halitta 240.21 -
Wurin narkewa (Gwaji) 218 ° C Mai narkewa: ethanol; isopropanol
Wurin tafasa (An annabta) 452.0± 55.0 °C Latsa: 760 Torr
Girma (An annabta) 1.88± 0.1 g/cm3 Zazzabi: 20 ° C; Latsa: 760 Torr
pKa (An annabta) 12.56± 0.60 Mafi yawan zafin jiki: 25 ° C

Sauran Sunaye da Masu Ganewa

MURMUSHI na Canonical

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

MURMUSHI

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 Key

WLLOAUCNUMYOQI-JAGXHNFQSA-N

Wasu Sunaye 17 na wannan Abu

(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-daya (ACI);

6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-daya, 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-daya, 2,3,3a,9a-tetrahydro-3-hydroxy-2-(hydroxymethyl) -7-methyl-, [2R(2α,3β,3aβ,9aβ)]- (ZCI);

11: PN: US20040014699 SHAFI: 18 da'awar DNA; 12: PN: US20040005565 SHAFI: 17- 22 da'awar DNA; 12: PN: US20040005570 SHAFI: 18 da'awar DNA; 12: PN: US20040006029 SHAFI: 21 da'awar DNA; 12: PN: US20040014051 SHAFI: 21 da'awar DNA; 1: PN: WO20050 06958 SHAFI: 59 da'awar DNA; 2,2'-Anhydro (1- β-D-arabinofuranosyl) - 5-methyluracil; 3: PN: WO2005007825 SHAFI: 59 da'awar DNA; 84: PN: US20040005707 SHAFI: 18 da'awar DNA; 9: PN: US20040014048 SHAFI: 19 da'awar DNA; 9: PN: US20040014049 SHAFI: 19

da'awar DNA;O2,2 '-Anhydro-5-methyluridine; O2,2'-Anhydro-5-methyluridine; Farashin 112690

Abubuwan Gwaji

Properties akwai
Thermal

Thermal

Dukiya Daraja Sharadi Source
Matsayin narkewa 240-242 ° C (1) CAS
Matsayin narkewa 218 ° C Mai narkewa: ethanol; isopropanol (2) CAS
Matsayin narkewa Duba Cikakken Rubutu (3) CAS
Matsayin narkewa Duba Cikakken Rubutu (4) CAS

(1) Oliveira, Maralise P.; Jaridar 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, Muthiah; US20030088079, A1, 2003, CAplus

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

Spectra na Gwaji

Spectra yana samuwa
1 H NMR
13 C NMR
Farashin NMR
Mass

Kayayyakin Hasashen

Properties akwai
Halittu
Chemical
Yawan yawa
Lipinski
Tsarin Yanayi
Thermal

Halittu

Dukiya Daraja Sharadi Source
Factor na Bioconcentration 1.0 pH da 1; Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 1.0 pH da 2; Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 1.0 pH da 3; Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 1.0 pH da 4; Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 1.0 pH da 5; Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 1.0 pH da 6; Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 1.0 pH da 7; Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 1.0 pH da 8; Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 1.0 pH da 9; Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 1.0 pH 10; Zazzabi: 25 ° C (1) ACD

(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Chemical

Dukiya Daraja Sharadi Source
Koc 12.9 pH da 1; Zazzabi: 25 ° C (1) ACD
Koc 12.9 pH da 2; Zazzabi: 25 ° C (1) ACD
Koc 12.9 pH da 3; Zazzabi: 25 ° C (1) ACD
Koc 12.9 pH da 4; Zazzabi: 25 ° C (1) ACD
Koc 12.9 pH da 5; Zazzabi: 25 ° C (1) ACD
Koc 12.9 pH da 6; Zazzabi: 25 ° C (1) ACD
Koc 12.9 pH da 7; Zazzabi: 25 ° C (1) ACD
Koc 12.9 pH da 8; Zazzabi: 25 ° C (1) ACD
Koc 12.9 pH da 9; Zazzabi: 25 ° C (1) ACD
Koc 12.9 pH 10; Zazzabi: 25 ° C (1) ACD
logD -0.49 pH da 1; Zazzabi: 25 ° C (1) ACD
logD -0.49 pH da 2; Zazzabi: 25 ° C (1) ACD
logD -0.49 pH da 3; Zazzabi: 25 ° C (1) ACD
logD -0.49 pH da 4; Zazzabi: 25 ° C (1) ACD
logD -0.49 pH da 5; Zazzabi: 25 ° C (1) ACD
logD -0.49 pH da 6; Zazzabi: 25 ° C (1) ACD
logD -0.49 pH da 7; Zazzabi: 25 ° C (1) ACD
logD -0.49 pH da 8; Zazzabi: 25 ° C (1) ACD
logD -0.49 pH da 9; Zazzabi: 25 ° C (1) ACD
logD -0.49 pH 10; Zazzabi: 25 ° C (1) ACD

 

Dukiya Daraja Sharadi Source
logP -0.491± 0.556 Zazzabi: 25 ° C (1) ACD
Mass Intrinsic Solubility 3.1 g/L Zazzabi: 25 ° C (1) ACD
Mass Solubility 3.1 g/L pH da 1; Zazzabi: 25 ° C (1) ACD
Mass Solubility 3.1 g/L pH da 2; Zazzabi: 25 ° C (1) ACD
Mass Solubility 3.1 g/L pH da 3; Zazzabi: 25 ° C (1) ACD
Mass Solubility 3.1 g/L pH da 4; Zazzabi: 25 ° C (1) ACD
Mass Solubility 3.1 g/L pH da 5; Zazzabi: 25 ° C (1) ACD
Mass Solubility 3.1 g/L pH da 6; Zazzabi: 25 ° C (1) ACD
Mass Solubility 3.1 g/L pH da 7; Zazzabi: 25 ° C (1) ACD
Mass Solubility 3.1 g/L pH da 8; Zazzabi: 25 ° C (1) ACD
Mass Solubility 3.1 g/L pH da 9; Zazzabi: 25 ° C (1) ACD
Mass Solubility 3.1 g/L pH 10; Zazzabi: 25 ° C (1) ACD
Mass Solubility 3.1 g/L Ruwan da ba a buƙata ba pH 6.94; Zazzabi: 25 ° C (1) ACD
Solubility na Ciki na Molar 0.013 mol/L Zazzabi: 25 ° C (1) ACD
Solubility na Molar 0.013 mol/L pH da 1; Zazzabi: 25 ° C (1) ACD
Solubility na Molar 0.013 mol/L pH da 2; Zazzabi: 25 ° C (1) ACD
Solubility na Molar 0.013 mol/L pH da 3; Zazzabi: 25 ° C (1) ACD
Solubility na Molar 0.013 mol/L pH da 4; Zazzabi: 25 ° C (1) ACD
Solubility na Molar 0.013 mol/L pH da 5; Zazzabi: 25 ° C (1) ACD
Solubility na Molar 0.013 mol/L pH da 6; Zazzabi: 25 ° C (1) ACD
Solubility na Molar 0.013 mol/L pH da 7; Zazzabi: 25 ° C (1) ACD
Solubility na Molar 0.013 mol/L pH da 8; Zazzabi: 25 ° C (1) ACD
Solubility na Molar 0.013 mol/L pH da 9; Zazzabi: 25 ° C (1) ACD
Solubility na Molar 0.013 mol/L pH 10; Zazzabi: 25 ° C (1) ACD
Solubility na Molar 0.013 mol/L Ruwan da ba a buƙata ba pH 6.94; Zazzabi: 25 ° C (1) ACD
Nauyin Kwayoyin Halitta 240.21    
pKa 12.56± 0.60 Mafi yawan zafin jiki: 25 ° C (1) ACD
pKa -4.36±0.60 Mafi Asalin Zazzabi: 25 ° C (1) ACD
Ruwan Ruwa 4.54 x 10-10 Torr Zazzabi: 25 ° C (1) ACD

(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Dukiya Daraja Sharadi Source
Yawan yawa 1.88± 0.1 g/cm3 Zazzabi: 20 ° C; Latsa: 760 Torr (1) ACD
Ƙarar Molar 127.5± 7.0 cm3/mol Zazzabi: 20 ° C; Latsa: 760 Torr (1) ACD

(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Lipinski

Dukiya Daraja Sharadi Source
Ƙimar Rarraba Kyauta 3   (1) ACD
H Masu karɓa 7   (1) ACD
H Masu Ba da taimako 2   (1) ACD
H Donor/Acceptor Sum 9   (1) ACD
logP -0.491± 0.556 Zazzabi: 25 ° C (1) ACD
Nauyin Kwayoyin Halitta 240.21    

(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Tsarin Yanayi

Dukiya Daraja Tushen yanayi
Wuri Mai Girma 91.6 A2 (1) ACD

(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Thermal

Dukiya Daraja Sharadi Source
Wurin Tafasa 452.0± 55.0 °C Latsa: 760 Torr (1) ACD
Enthalpy na Vaporization 82.04± 6.0 kJ/mol Latsa: 760 Torr (1) ACD
Wurin Flash 227.2± 31.5 °C   (1) ACD

(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Spectra da aka annabta

Spectra akwai
1 H NMR
13 C NMR


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