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)

umkhiqizo

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)

Ulwazi Oluyisisekelo:


Imininingwane Yomkhiqizo

Omaka bomkhiqizo

Imininingwane Yezidakamizwa

Inombolo Yokubhalisa ye-CAS

22423-26-3

Izici Zomzimba Eziyinhloko Inani Isimo
Isisindo samangqamuzana 240.21 -
I-Melting Point (Eyokuhlola) 218 °C I-solvent: I-Ethanol; Isopropanol
Iphoyinti lokubilisa (elibikezelwe) 452.0±55.0 °C Cindezela: 760 Torr
Ukuminyana (Kubikezelwe) 1.88±0.1 g/cm3 Izinga lokushisa: 20 °C; Cindezela: 760 Torr
pKa (Kubikezelwe) 12.56±0.60 Izinga Le-Acidic Elikhulu: 25 °C

Amanye Amagama Nezihlonzi

I-Canonical SMILES

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

I-Isomeric SMILES

O[C@H]1[C@]2([C@](N3C(O2)= NC(=O)C(C)=C3)(O[C@@H]1CO)[H])[ H]

I-InChI

I-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

Ukhiye we-InchI

WLLOAUCNUMYOQI-JAGXHNFQSA-N

17 Amanye Amagama Alesi Sitho

(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-one (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-Futhi

[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 IKHASI: I-DNA engu-18 efunwa; 12: PN: US20040005565 IKHASI: 17- 22 okufunwa i-DNA; 12: PN: US20040005570 IKHASI: I-DNA engu-18 efunwa; 12: PN: US20040006029 IKHASI: 21 okufunwa i-DNA; 12: PN: US20040014051 IKHASI: I-DNA engu-21 efunwa; 1: PN: WO20050 06958 IKHASI: I-DNA engu-59 efunwa; 2,2′ -Anhydro (1- β -D-arabinofuranosyl) - 5-methyluracil; 3: PN: WO2005007825 IKHASI: I-DNA engu-59 efunwa; 84: PN: US20040005707 IKHASI: I-DNA eyi-18 efunwa; 9: PN: US20040014048 IKHASI: I-DNA engu-19 efunwa; 9: PN: US20040014049 IKHASI: 19

i-DNA efunwayo;O2,2' -Anhydro-5-methyluridine; O2,2' -Anhydro-5-methyluridine; I-TK 112690

Izakhiwo Zokuhlola

Izakhiwo ezitholakalayo
Okushisayo

Okushisayo

Impahla Inani Isimo Umthombo
I-Melting Point 240-242 °C (1) I-CAS
I-Melting Point 218 °C I-solvent: I-Ethanol; Isopropanol (2) I-CAS
I-Melting Point Bheka Umbhalo Ogcwele (3) I-CAS
I-Melting Point Bheka Umbhalo Ogcwele (4) I-CAS

(1) Oliveira, Maralise P.; Ijenali ye-Brazilian Chemical Society, (2015), 26(4), 816-821, CAplus

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

(3) uManoharan, uMuthiya; US20030088079, A1, 2003, CAPlus

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

I-Spectra yokuhlola

I-Spectra iyatholakala
1 H NMR
13 C NMR
I-Hetero NMR
IMisa

Izakhiwo Ezibikezelwe

Izakhiwo ezitholakalayo
I-Biological
Amakhemikhali
Ukuminyana
Lipinski
Okuhlobene Nesakhiwo
Okushisayo

I-Biological

Impahla Inani Isimo Umthombo
I-Bioconcentration Factor 1.0 i-pH 1; Izinga lokushisa: 25 °C (1) ACD
I-Bioconcentration Factor 1.0 pH 2; Izinga lokushisa: 25 °C (1) ACD
I-Bioconcentration Factor 1.0 i-pH 3; Izinga lokushisa: 25 °C (1) ACD
I-Bioconcentration Factor 1.0 i-pH 4; Izinga lokushisa: 25 °C (1) ACD
I-Bioconcentration Factor 1.0 pH 5; Izinga lokushisa: 25 °C (1) ACD
I-Bioconcentration Factor 1.0 pH 6; Izinga lokushisa: 25 °C (1) ACD
I-Bioconcentration Factor 1.0 pH 7; Izinga lokushisa: 25 °C (1) ACD
I-Bioconcentration Factor 1.0 pH 8; Izinga lokushisa: 25 °C (1) ACD
I-Bioconcentration Factor 1.0 pH 9; Izinga lokushisa: 25 °C (1) ACD
I-Bioconcentration Factor 1.0 pH 10; Izinga lokushisa: 25 °C (1) ACD

(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Amakhemikhali

Impahla Inani Isimo Umthombo
Koc 12.9 i-pH 1; Izinga lokushisa: 25 °C (1) ACD
Koc 12.9 pH 2; Izinga lokushisa: 25 °C (1) ACD
Koc 12.9 i-pH 3; Izinga lokushisa: 25 °C (1) ACD
Koc 12.9 i-pH 4; Izinga lokushisa: 25 °C (1) ACD
Koc 12.9 pH 5; Izinga lokushisa: 25 °C (1) ACD
Koc 12.9 pH 6; Izinga lokushisa: 25 °C (1) ACD
Koc 12.9 pH 7; Izinga lokushisa: 25 °C (1) ACD
Koc 12.9 pH 8; Izinga lokushisa: 25 °C (1) ACD
Koc 12.9 pH 9; Izinga lokushisa: 25 °C (1) ACD
Koc 12.9 pH 10; Izinga lokushisa: 25 °C (1) ACD
logD -0.49 i-pH 1; Izinga lokushisa: 25 °C (1) ACD
logD -0.49 pH 2; Izinga lokushisa: 25 °C (1) ACD
logD -0.49 i-pH 3; Izinga lokushisa: 25 °C (1) ACD
logD -0.49 i-pH 4; Izinga lokushisa: 25 °C (1) ACD
logD -0.49 pH 5; Izinga lokushisa: 25 °C (1) ACD
logD -0.49 pH 6; Izinga lokushisa: 25 °C (1) ACD
logD -0.49 pH 7; Izinga lokushisa: 25 °C (1) ACD
logD -0.49 pH 8; Izinga lokushisa: 25 °C (1) ACD
logD -0.49 pH 9; Izinga lokushisa: 25 °C (1) ACD
logD -0.49 pH 10; Izinga lokushisa: 25 °C (1) ACD

 

Impahla Inani Isimo Umthombo
logP -0.491±0.556 Izinga lokushisa: 25 °C (1) ACD
I-Mass Intrinsic Solubility 3.1 g/L Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 3.1 g/L i-pH 1; Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 3.1 g/L pH 2; Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 3.1 g/L i-pH 3; Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 3.1 g/L i-pH 4; Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 3.1 g/L pH 5; Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 3.1 g/L pH 6; Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 3.1 g/L pH 7; Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 3.1 g/L pH 8; Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 3.1 g/L pH 9; Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 3.1 g/L pH 10; Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 3.1 g/L Amanzi Angakhiqiziwe pH 6.94; Izinga lokushisa: 25 °C (1) ACD
I-Molar Intrinsic Solubility 0.013 mol/L Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 0.013 mol/L i-pH 1; Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 0.013 mol/L pH 2; Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 0.013 mol/L i-pH 3; Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 0.013 mol/L i-pH 4; Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 0.013 mol/L pH 5; Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 0.013 mol/L pH 6; Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 0.013 mol/L pH 7; Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 0.013 mol/L pH 8; Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 0.013 mol/L pH 9; Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 0.013 mol/L pH 10; Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 0.013 mol/L Amanzi Angakhiqiziwe pH 6.94; Izinga lokushisa: 25 °C (1) ACD
Isisindo samangqamuzana 240.21    
pKa 12.56±0.60 Izinga Le-Acidic Elikhulu: 25 °C (1) ACD
pKa -4.36±0.60 Izinga Lokushisa Eziyisisekelo: 25 °C (1) ACD
I-Vapor Pressure 4.54 x 10-10 Torr Izinga lokushisa: 25 °C (1) ACD

(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Impahla Inani Isimo Umthombo
Ukuminyana 1.88±0.1 g/cm3 Izinga lokushisa: 20 °C; Cindezela: 760 Torr (1) ACD
Ivolumu ye-Molar 127.5±7.0 cm3/mol Izinga lokushisa: 20 °C; Cindezela: 760 Torr (1) ACD

(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Lipinski

Impahla Inani Isimo Umthombo
Amabhondi Ashintshashintshayo Ngokukhululekile 3   (1) ACD
H Abamukelayo 7   (1) ACD
H Abanikeli 2   (1) ACD
H Isamba Somnikeli/Umamukeli 9   (1) ACD
logP -0.491±0.556 Izinga lokushisa: 25 °C (1) ACD
Isisindo samangqamuzana 240.21    

(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Okuhlobene Nesakhiwo

Impahla Inani Umthombo Wesimo
Indawo ye-Polar Surface 91.6 A2 (1) ACD

(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Okushisayo

Impahla Inani Isimo Umthombo
Iphuzu elibilayo 452.0±55.0 °C Cindezela: 760 Torr (1) ACD
I-Enthalpy ye-Vaporization 82.04±6.0 kJ/mol Cindezela: 760 Torr (1) ACD
I-Flash Point 227.2±31.5 °C   (1) ACD

(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

I-Spectra ebikezelwe

I-Spectra iyatholakala ⁿ
1 H NMR
13 C NMR


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