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)

sehlahisoa

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)

Lintlha tsa Motheo:


Lintlha tsa Sehlahisoa

Li-tag tsa Sehlahisoa

Tlhaloso ea Lintho

Nomoro ea Registry ea CAS

22423-26-3

Lintho Tsa Bohlokoa Tsa 'Mele Boleng Boemo
Boima ba Molek'hule 240.21 -
Melting Point (Teko) 218 °C Solvent: Ethanol; Isopropanol
Sebaka se belang (Se boletsoeng esale pele) 452.0±55.0 °C Tobetsa: 760 Torr
Boima (bo boletsoeng esale pele) 1.88±0.1 g/cm3 Mocheso: 20 °C; Tobetsa: 760 Torr
pKa (E boletsoeng esale pele) 12.56±0,60 Mocheso o nang le Asiti ka ho Fetisisa: 25 °C

Mabitso a Mang le Litlhahiso

Canonical POSISO

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

Isomeric SOSOA

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

Senotlolo sa InChi

WLLOAUCNUMYOQI-JAGXHNFQSA-N

17 Mabitso a Mang a Ntho ena

(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- Furo

[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 LEQEPHE: 18 e tseka DNA; 12: PN: US20040005565 LEQEPHE: 17- 22 e tsekang DNA; 12: PN: US20040005570 LEQEPHE: 18 e bolela DNA; 12: PN: US20040006029 LEQEPHE: 21 e bolela DNA; 12: PN: US20040014051 LEQEPHE: 21 e bolela DNA; 1: PN: WO20050 06958 LEQEPHE: 59 e tseka DNA; 2,2' -Anhydro (1- β -D-arabinofuranosyl) - 5-methyluracil; 3: PN: WO2005007825 LEQEPHE: 59 e bolela DNA; 84: PN: US20040005707 LEQEPHE: 18 e bolela DNA; 9: PN: US20040014048 LEQEPHE: 19 e bolela DNA; 9: PN: US20040014049 LEQEPHE: 19

ho thoe ke DNA;O2,2' -Anhydro-5-methyluridine; O2,2' -Anhydro-5-methyluridine; TK 112690

Thepa ea Teko

Thepa e teng
Mocheso

Mocheso

Thepa Boleng Boemo Mohloli
Melting Point 240-242 °C (1) CAS
Melting Point 218 °C Solvent: Ethanol; Isopropanol (2) CAS
Melting Point Sheba Temana e Feletseng (3) CAS
Melting Point Sheba Temana e Feletseng (4) CAS

(1) Oliveira, Maralise P.; Journal of the Brazilian Chemical Society, (2015), 26(4), 816-821, CAPlus

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

(3) Manoharane, Muthiah; US20030088079, A1, 2003, CAPlus

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

Spectra ea Teko

Spectra e teng
1 H NMR
13 C NMR
Hetero NMR
Mmisa

Thepa e boletsoeng esale pele

Thepa e teng
Likokoana-hloko
Lik'hemik'hale
Botenya
Lipinski
Sebopeho se Amanang
Mocheso

Likokoana-hloko

Thepa Boleng Boemo Mohloli
Bioconcentration Factor 1.0 pH 1; Mocheso: 25 °C (1) ACD
Bioconcentration Factor 1.0 pH 2; Mocheso: 25 °C (1) ACD
Bioconcentration Factor 1.0 pH 3; Mocheso: 25 °C (1) ACD
Bioconcentration Factor 1.0 pH 4; Mocheso: 25 °C (1) ACD
Bioconcentration Factor 1.0 pH 5; Mocheso: 25 °C (1) ACD
Bioconcentration Factor 1.0 pH 6; Mocheso: 25 °C (1) ACD
Bioconcentration Factor 1.0 pH 7; Mocheso: 25 °C (1) ACD
Bioconcentration Factor 1.0 pH 8; Mocheso: 25 °C (1) ACD
Bioconcentration Factor 1.0 pH 9; Mocheso: 25 °C (1) ACD
Bioconcentration Factor 1.0 pH 10; Mocheso: 25 °C (1) ACD

(1) E baloang ho sebelisoa Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Lik'hemik'hale

Thepa Boleng Boemo Mohloli
Koc 12.9 pH 1; Mocheso: 25 °C (1) ACD
Koc 12.9 pH 2; Mocheso: 25 °C (1) ACD
Koc 12.9 pH 3; Mocheso: 25 °C (1) ACD
Koc 12.9 pH 4; Mocheso: 25 °C (1) ACD
Koc 12.9 pH 5; Mocheso: 25 °C (1) ACD
Koc 12.9 pH 6; Mocheso: 25 °C (1) ACD
Koc 12.9 pH 7; Mocheso: 25 °C (1) ACD
Koc 12.9 pH 8; Mocheso: 25 °C (1) ACD
Koc 12.9 pH 9; Mocheso: 25 °C (1) ACD
Koc 12.9 pH 10; Mocheso: 25 °C (1) ACD
logD -0.49 pH 1; Mocheso: 25 °C (1) ACD
logD -0.49 pH 2; Mocheso: 25 °C (1) ACD
logD -0.49 pH 3; Mocheso: 25 °C (1) ACD
logD -0.49 pH 4; Mocheso: 25 °C (1) ACD
logD -0.49 pH 5; Mocheso: 25 °C (1) ACD
logD -0.49 pH 6; Mocheso: 25 °C (1) ACD
logD -0.49 pH 7; Mocheso: 25 °C (1) ACD
logD -0.49 pH 8; Mocheso: 25 °C (1) ACD
logD -0.49 pH 9; Mocheso: 25 °C (1) ACD
logD -0.49 pH 10; Mocheso: 25 °C (1) ACD

 

Thepa Boleng Boemo Mohloli
logP -0.491±0.556 Mocheso: 25 °C (1) ACD
Mass Intrinsic Sollubility 3.1 g/L Mocheso: 25 °C (1) ACD
Ho qhibiliha ka bongata 3.1 g/L pH 1; Mocheso: 25 °C (1) ACD
Ho qhibiliha ka bongata 3.1 g/L pH 2; Mocheso: 25 °C (1) ACD
Ho qhibiliha ka bongata 3.1 g/L pH 3; Mocheso: 25 °C (1) ACD
Ho qhibiliha ka bongata 3.1 g/L pH 4; Mocheso: 25 °C (1) ACD
Ho qhibiliha ka bongata 3.1 g/L pH 5; Mocheso: 25 °C (1) ACD
Ho qhibiliha ka bongata 3.1 g/L pH 6; Mocheso: 25 °C (1) ACD
Ho qhibiliha ka bongata 3.1 g/L pH 7; Mocheso: 25 °C (1) ACD
Ho qhibiliha ka bongata 3.1 g/L pH 8; Mocheso: 25 °C (1) ACD
Ho qhibiliha ka bongata 3.1 g/L pH 9; Mocheso: 25 °C (1) ACD
Ho qhibiliha ka bongata 3.1 g/L pH 10; Mocheso: 25 °C (1) ACD
Ho qhibiliha ka bongata 3.1 g/L Metsi a sa tsitsang pH 6.94; Mocheso: 25 °C (1) ACD
Molar Intrinsic Solubility 0.013 mol/L Mocheso: 25 °C (1) ACD
Molar Solubility 0.013 mol/L pH 1; Mocheso: 25 °C (1) ACD
Molar Solubility 0.013 mol/L pH 2; Mocheso: 25 °C (1) ACD
Molar Solubility 0.013 mol/L pH 3; Mocheso: 25 °C (1) ACD
Molar Solubility 0.013 mol/L pH 4; Mocheso: 25 °C (1) ACD
Molar Solubility 0.013 mol/L pH 5; Mocheso: 25 °C (1) ACD
Molar Solubility 0.013 mol/L pH 6; Mocheso: 25 °C (1) ACD
Molar Solubility 0.013 mol/L pH 7; Mocheso: 25 °C (1) ACD
Molar Solubility 0.013 mol/L pH 8; Mocheso: 25 °C (1) ACD
Molar Solubility 0.013 mol/L pH 9; Mocheso: 25 °C (1) ACD
Molar Solubility 0.013 mol/L pH 10; Mocheso: 25 °C (1) ACD
Molar Solubility 0.013 mol/L Metsi a sa tsitsang pH 6.94; Mocheso: 25 °C (1) ACD
Boima ba Molek'hule 240.21    
pKa 12.56±0,60 Mocheso o nang le Asiti ka ho Fetisisa: 25 °C (1) ACD
pKa -4,36±0,60 Mocheso ka ho Fetisisa oa Motheo: 25 °C (1) ACD
Khatello ea Mouoane 4.54 x 10-10 Torr Mocheso: 25 °C (1) ACD

(1) E baloang ho sebelisoa Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Thepa Boleng Boemo Mohloli
Botenya 1.88±0.1 g/cm3 Mocheso: 20 °C; Tobetsa: 760 Torr (1) ACD
Molumo oa Molar 127.5±7.0 cm3/mol Mocheso: 20 °C; Tobetsa: 760 Torr (1) ACD

(1) E baloang ho sebelisoa Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Lipinski

Thepa Boleng Boemo Mohloli
Li-Bonds tse ka fetolehang ka bolokolohi 3   (1) ACD
H Ba amohelang 7   (1) ACD
H Bafani 2   (1) ACD
H Kakaretso ea Mofani/Moamoheli 9   (1) ACD
logP -0.491±0.556 Mocheso: 25 °C (1) ACD
Boima ba Molek'hule 240.21    

(1) E baloang ho sebelisoa Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Sebopeho se Amanang

Thepa Boleng Mohloli oa Boemo
Sebaka sa Polar Surface 91.6 A2 (1) ACD

(1) E baloang ho sebelisoa Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Mocheso

Thepa Boleng Boemo Mohloli
Ntlha e belang 452.0±55.0 °C Tobetsa: 760 Torr (1) ACD
Enthalpy ea vaporization 82.04±6.0 kJ/mol Tobetsa: 760 Torr (1) ACD
Flash point 227.2±31.5 °C   (1) ACD

(1) E baloang ho sebelisoa Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Spectra e boletsoeng esale pele

Spectra e teng ⁿ
1 H NMR
13 C NMR


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