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

alaabta

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

Macluumaadka aasaasiga ah:


Faahfaahinta Alaabta

Tags Product

Faahfaahinta Walaxda

Lambarka Diiwaanka CAS

22423-26-3

Qalabka Jidhka ee Furaha ah Qiimaha Xaalad
Miisaanka Molecular 240.21 -
Meesha dhalaalaysa (Tijaabo) 218 °C Miraha: ethanol; Isopropanol
Barta karkarinta (La saadaaliyay) 452.0± 55.0 °C Riix: 760 Torr
Cufnaanta (La saadaaliyay) 1.88± 0.1 g/cm3 Heerkulka: 20 °C; Riix: 760 Torr
pKa (La saadaaliyay) 12.56±0.60 Heerkulka ugu acidic badan: 25 °C

Magacyo Kale iyo Aqoonsiyo

Dhoola-cadaynta Canonical

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

Dhoola-caddeyn

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

Furaha InChi

WLLOAUCNUMYOQI-JAGXHNFQSA-N

17 Magacyo kale oo Walaxdan ah

(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-hal (ACI);

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

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

DNA sheegtay;O2,2 "-Anhydro-5-methyluridine; O2,2′-Anhydro-5-methyluridine; TK 112690

Guryaha Tijaabada

Guryaha la heli karo
Kulul

Kulul

Hanti Qiimaha Xaalad Xigasho
Meesha dhalaalaysa 240-242 °C (1) CAS
Meesha dhalaalaysa 218 °C Miraha: ethanol; Isopropanol (2) CAS
Meesha dhalaalaysa Eeg qoraalka oo dhammaystiran (3) CAS
Meesha dhalaalaysa Eeg qoraalka oo dhammaystiran (4) CAS

(1) Oliveira, Maralise P.; Joornaalka Bulshada Kiimikada Brazil, (2015), 26(4), 816-821, CAplus

(2) Takatsuki, Ken-ichi; Nucleosides, Nucleotides & Nucleic Acids, (2006), 25(7), 719-734, CAplus

(3) Manoharan, Mutxiah; US20030088079, A1, 2003, CAplus

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

Tijaabada Spectra

Spectra la heli karo
1 H NMR
13 C NMR
Hetero NMR
Mass

Guryaha la saadaaliyay

Guryaha la heli karo
Nafley
Kiimiko
Cufnaanta
Lipinski
Qaab-dhismeedka La Xiriira
Kulul

Nafley

Hanti Qiimaha Xaalad Xigasho
Qodobka bioconcentration 1.0 pH 1; Heerkulka: 25 °C (1) ACD
Qodobka bioconcentration 1.0 pH 2; Heerkulka: 25 °C (1) ACD
Qodobka bioconcentration 1.0 pH 3; Heerkulka: 25 °C (1) ACD
Qodobka bioconcentration 1.0 pH 4; Heerkulka: 25 °C (1) ACD
Qodobka bioconcentration 1.0 pH 5; Heerkulka: 25 °C (1) ACD
Qodobka bioconcentration 1.0 pH 6; Heerkulka: 25 °C (1) ACD
Qodobka bioconcentration 1.0 pH 7; Heerkulka: 25 °C (1) ACD
Qodobka bioconcentration 1.0 pH 8; Heerkulka: 25 °C (1) ACD
Qodobka bioconcentration 1.0 pH 9; Heerkulka: 25 °C (1) ACD
Qodobka bioconcentration 1.0 pH 10; Heerkulka: 25 °C (1) ACD

(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Kiimiko

Hanti Qiimaha Xaalad Xigasho
Koc 12.9 pH 1; Heerkulka: 25 °C (1) ACD
Koc 12.9 pH 2; Heerkulka: 25 °C (1) ACD
Koc 12.9 pH 3; Heerkulka: 25 °C (1) ACD
Koc 12.9 pH 4; Heerkulka: 25 °C (1) ACD
Koc 12.9 pH 5; Heerkulka: 25 °C (1) ACD
Koc 12.9 pH 6; Heerkulka: 25 °C (1) ACD
Koc 12.9 pH 7; Heerkulka: 25 °C (1) ACD
Koc 12.9 pH 8; Heerkulka: 25 °C (1) ACD
Koc 12.9 pH 9; Heerkulka: 25 °C (1) ACD
Koc 12.9 pH 10; Heerkulka: 25 °C (1) ACD
logD -0.49 pH 1; Heerkulka: 25 °C (1) ACD
logD -0.49 pH 2; Heerkulka: 25 °C (1) ACD
logD -0.49 pH 3; Heerkulka: 25 °C (1) ACD
logD -0.49 pH 4; Heerkulka: 25 °C (1) ACD
logD -0.49 pH 5; Heerkulka: 25 °C (1) ACD
logD -0.49 pH 6; Heerkulka: 25 °C (1) ACD
logD -0.49 pH 7; Heerkulka: 25 °C (1) ACD
logD -0.49 pH 8; Heerkulka: 25 °C (1) ACD
logD -0.49 pH 9; Heerkulka: 25 °C (1) ACD
logD -0.49 pH 10; Heerkulka: 25 °C (1) ACD

 

Hanti Qiimaha Xaalad Xigasho
logP -0.491±0.556 Heerkulka: 25 °C (1) ACD
Solubility Mass Intrinsic 3.1 g/L Heerkulka: 25 °C (1) ACD
Solubility Mass 3.1 g/L pH 1; Heerkulka: 25 °C (1) ACD
Solubility Mass 3.1 g/L pH 2; Heerkulka: 25 °C (1) ACD
Solubility Mass 3.1 g/L pH 3; Heerkulka: 25 °C (1) ACD
Solubility Mass 3.1 g/L pH 4; Heerkulka: 25 °C (1) ACD
Solubility Mass 3.1 g/L pH 5; Heerkulka: 25 °C (1) ACD
Solubility Mass 3.1 g/L pH 6; Heerkulka: 25 °C (1) ACD
Solubility Mass 3.1 g/L pH 7; Heerkulka: 25 °C (1) ACD
Solubility Mass 3.1 g/L pH 8; Heerkulka: 25 °C (1) ACD
Solubility Mass 3.1 g/L pH 9; Heerkulka: 25 °C (1) ACD
Solubility Mass 3.1 g/L pH 10; Heerkulka: 25 °C (1) ACD
Solubility Mass 3.1 g/L Biyaha aan la daboolin pH 6.94; Heerkulka: 25 °C (1) ACD
Solubility Intrinsic Molar 0.013 mol/L Heerkulka: 25 °C (1) ACD
Solubility Molar 0.013 mol/L pH 1; Heerkulka: 25 °C (1) ACD
Solubility Molar 0.013 mol/L pH 2; Heerkulka: 25 °C (1) ACD
Solubility Molar 0.013 mol/L pH 3; Heerkulka: 25 °C (1) ACD
Solubility Molar 0.013 mol/L pH 4; Heerkulka: 25 °C (1) ACD
Solubility Molar 0.013 mol/L pH 5; Heerkulka: 25 °C (1) ACD
Solubility Molar 0.013 mol/L pH 6; Heerkulka: 25 °C (1) ACD
Solubility Molar 0.013 mol/L pH 7; Heerkulka: 25 °C (1) ACD
Solubility Molar 0.013 mol/L pH 8; Heerkulka: 25 °C (1) ACD
Solubility Molar 0.013 mol/L pH 9; Heerkulka: 25 °C (1) ACD
Solubility Molar 0.013 mol/L pH 10; Heerkulka: 25 °C (1) ACD
Solubility Molar 0.013 mol/L Biyaha aan la daboolin pH 6.94; Heerkulka: 25 °C (1) ACD
Miisaanka Molecular 240.21    
pKa 12.56±0.60 Heerkulka ugu acidic badan: 25 °C (1) ACD
pKa -4.36±0.60 Heerkulka ugu badan ee aasaasiga ah: 25 °C (1) ACD
Cadaadis uumiga 4.54 x 10-10 Torr Heerkulka: 25 °C (1) ACD

(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Hanti Qiimaha Xaalad Xigasho
Cufnaanta 1.88± 0.1 g/cm3 Heerkulka: 20 °C; Riix: 760 Torr (1) ACD
Mugga Molar 127.5 ± 7.0 cm3 / mol Heerkulka: 20 °C; Riix: 760 Torr (1) ACD

(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Lipinski

Hanti Qiimaha Xaalad Xigasho
Boondhigyo si xor ah loo wareejin karo 3   (1) ACD
H Aqbalayaasha 7   (1) ACD
H Deeq-bixiyayaasha 2   (1) ACD
Ku-deeqaha/Aqbalka Wadarta 9   (1) ACD
logP -0.491±0.556 Heerkulka: 25 °C (1) ACD
Miisaanka Molecular 240.21    

(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Qaab-dhismeedka La Xiriira

Hanti Qiimaha Isha Xaaladda
Aagga dusha sare ee Polar 91.6 A2 (1) ACD

(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Kulul

Hanti Qiimaha Xaalad Xigasho
Barta Karsan 452.0± 55.0 °C Riix: 760 Torr (1) ACD
Enthalpy of uumiga 82.04± 6.0 kJ/mol Riix: 760 Torr (1) ACD
Barta Fiishka 227.2± 31.5 °C   (1) ACD

(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Spectra la saadaaliyay

Spectra waa la heli karaa
1 H NMR
13 C NMR


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