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)

samfur

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)

Bayanan asali:


Cikakken Bayani

Tags samfurin

Bayanin Abu

Lambar Rijistar CAS

3736-77-4

Mabuɗin Abubuwan Jiki Daraja Sharadi
Nauyin Kwayoyin Halitta 226.19 -
Wurin narkewa (Gwaji) 234-235 ° C -
Wurin tafasa (An annabta) 456.3±55.0 °C Latsa: 760 Torr
Girma (An annabta) 2.01± 0.1 g/cm3 Zazzabi: 20 ° C;Latsa: 760 Torr
pKa (An annabta) 12.55± 0.40 Mafi yawan zafin jiki: 25 ° C

Sauran Sunaye da Masu Ganewa

MURMUSHI na Canonical
O=C1N=C2OC3C(O)C(OC3N2C=C1)CO
MURMUSHI
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 Key
UGITDASWNOAGG-CCXZUQQUSA-N
Wasu Sunaye 13 na wannan Abu
(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-daya (ACI);6H-Furo[2′, 3′:4,5]oxazolo[3,2-a] pyrimidin-6-daya, 2,3,3a,9a-tetrahydro-3-hydroxy-2-(hydroxymethyl)- (6CI , 7CI);6H-Furo[2′,3′:4,5]oxazolo[3,2-a] pyrimidin-6-daya, 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-daya, 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

Abubuwan Gwaji

Properties akwai
Na gani da Watsawa
Thermal

Na gani da kuma Scatering

Dukiya Daraja Sharadi Source
Ƙarfin Juyawar gani -19 deg Mai narkewa: methanol;girman: 589.3 nm;Zazzabi: 26 ° C (1) CAS

(1) Codington, John F.;Journal of the American Chemical Society, (1961), 83, 5030-1, CAplus

Thermal

Dukiya Daraja Sharadi Source
Matsayin narkewa 250-253 ° C   (1) CAS
Matsayin narkewa 246 ° C Mai narkewa: ethanol;isopropanol (2) CAS
Matsayin narkewa 242-245 ° C   (3) CAS
Matsayin narkewa 242-243 ° C   (4) CAS
Matsayin narkewa 236-238 ° C (decomp)   (5) CAS
Matsayin narkewa 234 ° C   (6) CAS
Matsayin narkewa 234-235 ° C   (7) CAS
Matsayin narkewa 233-234 ° C (decomp) Mai narkewa: methanol (8) CAS
Matsayin narkewa Duba Cikakken Rubutu   (9) CAS

(1) Lin, Kun-I.;Journal of the Sin 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.;Jaridar 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;Sadarwar Sadarwa, (2006), 36 (14), 1933-1940, CAplus

(9) Codington, John F.;Journal of the American Chemical Society, (1961), 83, 5030-1, CAplus

Spectra na Gwaji

Spectra akwai
1 H NMR
13 C NMR
IR
Spectra akwai
Mass

Abubuwan 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 7.66 pH da 1;Zazzabi: 25 ° C (1) ACD
Koc 7.66 pH da 2;Zazzabi: 25 ° C (1) ACD
Koc 7.66 pH da 3;Zazzabi: 25 ° C (1) ACD
Koc 7.66 pH da 4;Zazzabi: 25 ° C (1) ACD
Koc 7.66 pH da 5;Zazzabi: 25 ° C (1) ACD
Koc 7.66 pH da 6;Zazzabi: 25 ° C (1) ACD
Koc 7.66 pH da 7;Zazzabi: 25 ° C (1) ACD
Koc 7.66 pH da 8;Zazzabi: 25 ° C (1) ACD

 

Dukiya Daraja Sharadi Source
Koc 7.66 pH da 9;Zazzabi: 25 ° C (1) ACD
Koc 7.64 pH 10;Zazzabi: 25 ° C (1) ACD
logD -0.91 pH da 1;Zazzabi: 25 ° C (1) ACD
logD -0.91 pH da 2;Zazzabi: 25 ° C (1) ACD
logD -0.91 pH da 3;Zazzabi: 25 ° C (1) ACD
logD -0.91 pH da 4;Zazzabi: 25 ° C (1) ACD
logD -0.91 pH da 5;Zazzabi: 25 ° C (1) ACD
logD -0.91 pH da 6;Zazzabi: 25 ° C (1) ACD
logD -0.91 pH da 7;Zazzabi: 25 ° C (1) ACD
logD -0.91 pH da 8;Zazzabi: 25 ° C (1) ACD
logD -0.91 pH da 9;Zazzabi: 25 ° C (1) ACD
logD -0.91 pH 10;Zazzabi: 25 ° C (1) ACD
logP -0.906± 0.555 Zazzabi: 25 ° C (1) ACD
Mass Intrinsic Solubility 4.7 g/l Zazzabi: 25 ° C (1) ACD
Mass Solubility 4.7 g/l pH da 1;Zazzabi: 25 ° C (1) ACD
Mass Solubility 4.7 g/l pH da 2;Zazzabi: 25 ° C (1) ACD
Mass Solubility 4.7 g/l pH da 3;Zazzabi: 25 ° C (1) ACD
Mass Solubility 4.7 g/l pH da 4;Zazzabi: 25 ° C (1) ACD
Mass Solubility 4.7 g/l pH da 5;Zazzabi: 25 ° C (1) ACD
Mass Solubility 4.7 g/l pH da 6;Zazzabi: 25 ° C (1) ACD
Mass Solubility 4.7 g/l pH da 7;Zazzabi: 25 ° C (1) ACD
Mass Solubility 4.7 g/l pH da 8;Zazzabi: 25 ° C (1) ACD
Mass Solubility 4.7 g/l pH da 9;Zazzabi: 25 ° C (1) ACD
Mass Solubility 4.7 g/l pH 10;Zazzabi: 25 ° C (1) ACD
Mass Solubility 4.7 g/l Ruwan da ba a buƙata ba pH 6.91;Zazzabi: 25 ° C (1) ACD
Solubility na Ciki na Molar 0.021 mol/L Zazzabi: 25 ° C (1) ACD
Solubility na Molar 0.021 mol/L pH da 1;Zazzabi: 25 ° C (1) ACD
Solubility na Molar 0.021 mol/L pH da 2;Zazzabi: 25 ° C (1) ACD
Solubility na Molar 0.021 mol/L pH da 3;Zazzabi: 25 ° C (1) ACD
Solubility na Molar 0.021 mol/L pH da 4;Zazzabi: 25 ° C (1) ACD
Solubility na Molar 0.021 mol/L pH da 5;Zazzabi: 25 ° C (1) ACD
Solubility na Molar 0.021 mol/L pH da 6;Zazzabi: 25 ° C (1) ACD

 

Dukiya Daraja Sharadi Source
Solubility na Molar 0.021 mol/L pH da 7;Zazzabi: 25 ° C (1) ACD
Solubility na Molar 0.021 mol/L pH da 8;Zazzabi: 25 ° C (1) ACD
Solubility na Molar 0.021 mol/L pH da 9;Zazzabi: 25 ° C (1) ACD
Solubility na Molar 0.021 mol/L pH 10;Zazzabi: 25 ° C (1) ACD
Solubility na Molar 0.021 mol/L Ruwan da ba a buƙata ba pH 6.91;Zazzabi: 25 ° C (1) ACD
Nauyin Kwayoyin Halitta 226.19    
pKa 12.55± 0.40 Mafi yawan zafin jiki: 25 ° C (1) ACD
pKa -4.68±0.60 Mafi Asalin Zazzabi: 25 ° C (1) ACD
Ruwan Ruwa 3.04 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)

Yawan yawa

Dukiya Daraja Sharadi Source
Yawan yawa 2.01± 0.1 g/cm3 Zazzabi: 20 ° C;Latsa: 760 Torr (1) ACD
Ƙarar Molar 112.3 ± 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 -0.906± 0.555 Zazzabi: 25 ° C (1) ACD
Nauyin Kwayoyin Halitta 226.19

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

 

Dukiya Daraja Sharadi Source
Enthalpy na Vaporization 82.62± 6.0 kJ/mol Latsa: 760 Torr (1) ACD
Wurin Flash 229.8± 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

Bayanin Hazard na GHS

Tushen Bayanin Hazard na Code
H302 Yana da illa idan an haɗiye shi Rarraba Hukumar Kula da Sinadarai ta Turai (ECHA) & Lakabi

Inventory - Sanarwa Rarrabawa da lakabi - sanarwar da aka fi sani, Hukumar Kula da Sinadarai ta Turai (ECHA)

Rabewa&Kyakkyawan Lakabi - Faɗakarwar Rarrabawa da Lakabi - sanarwa mafi mahimmanci


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