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

imveliso

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

Ulwazi olusisiseko:


Iinkcukacha zeMveliso

Iithegi zeMveliso

Iinkcukacha zeZiyobisi

Inombolo yoBhaliso yeCAS

22423-26-3

IiPropati zoMzimba eziPhambili Ixabiso Imeko
Ubunzima beMolekyuli 240.21 -
Indawo yokunyibilika (yoMfuniselo) 218 °C Isinyibilikisi: I-Ethanol; Isopropanol
Indawo yokuBila (Kuqikelelwe) 452.0±55.0 °C Cinezela: 760 Torr
Ukuxinana (Kuqikelelwe) 1.88±0.1 g/cm3 Ubushushu: 20 °C; Cinezela: 760 Torr
pKa (Kuxelwe kwangaphambili) 12.56±0.60 Owona bushushu be-Acidic Temp: 25 °C

Amanye Amagama kunye neZazi

Uncumo lweCanonical

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

Isomeric UNCUMA

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

Isitshixo se-InchI

WLLOAUCNUMYOQI-JAGXHNFQSA-N

17 Amanye Amagama ale Nxibelelwano

(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-enye (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 IPHEPHA: I-18 ibango leDNA; 12: PN: US20040005565 IPHEPHA: 17- 22 ibango leDNA; 12: PN: US20040005570 IPHEPHA: I-DNA ebanga i-18; 12: PN: US20040006029 IPHEPHA: I-21 ibango leDNA; 12: PN: US20040014051 IPHEPHA: I-21 ibango leDNA; 1: PN: WO20050 06958 IPHEPHA: 59 ibango leDNA; 2,2′ -Anhydro (1- β -D-arabinofuranosyl) - 5-methyluracil; 3: PN: WO2005007825 IPHEPHA: 59 ibango leDNA; 84: PN: US20040005707 IPHEPHA: I-18 ibango leDNA; 9: PN: US20040014048 IPHEPHA: I-19 ibango leDNA; 9: PN: US20040014049 IPHEPHA: 19

ibango le-DNA;OI-2,2'-Anhydro-5-methyluridine; O2,2'-Anhydro-5-methyluridine; TK 112690

Iipropati zoMfuniselo

Iipropati ezikhoyo
Thermal

Thermal

Ipropati Ixabiso Imeko Umthombo
Indawo yokunyibilika 240-242 °C (1) I-CAS
Indawo yokunyibilika 218 °C Isinyibilikisi: I-Ethanol; Isopropanol (2) CAS
Indawo yokunyibilika Jonga iSibhalo esipheleleyo (3) CAS
Indawo yokunyibilika Jonga iSibhalo esipheleleyo (4) CAS

(1) uOliveira, uMaralise P.; Ijenali yeBrazilian Chemical Society, (2015), 26(4), 816-821, CAplus

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

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

(4) uMiraglia, uLoren J.; WO2003048315, A2, 2003, Caplus

ISpectra yoMfuniselo

ISpectra ikhona
1 H NMR
13 C NMR
Hetero NMR
IMisa

Iipropati eziqikelelweyo

Iipropati ezikhoyo
Ibhayoloji
Ikhemikhali
Ukuxinana
Lipinski
Ulwakhiwo olunxulumeneyo
Thermal

Ibhayoloji

Ipropati Ixabiso Imeko Umthombo
I-Bioconcentration Factor 1.0 pH 1; Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 1.0 pH 2; Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 1.0 pH 3; Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 1.0 pH 4; Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 1.0 pH 5; Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 1.0 pH 6; Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 1.0 pH 7; Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 1.0 pH 8; Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 1.0 pH 9; Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 1.0 pH 10; Ubushushu: 25 °C (1) ACD

(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)

Ikhemikhali

Ipropati Ixabiso Imeko Umthombo
Koc 12.9 pH 1; Ubushushu: 25 °C (1) ACD
Koc 12.9 pH 2; Ubushushu: 25 °C (1) ACD
Koc 12.9 pH 3; Ubushushu: 25 °C (1) ACD
Koc 12.9 pH 4; Ubushushu: 25 °C (1) ACD
Koc 12.9 pH 5; Ubushushu: 25 °C (1) ACD
Koc 12.9 pH 6; Ubushushu: 25 °C (1) ACD
Koc 12.9 pH 7; Ubushushu: 25 °C (1) ACD
Koc 12.9 pH 8; Ubushushu: 25 °C (1) ACD
Koc 12.9 pH 9; Ubushushu: 25 °C (1) ACD
Koc 12.9 pH 10; Ubushushu: 25 °C (1) ACD
logD -0.49 pH 1; Ubushushu: 25 °C (1) ACD
logD -0.49 pH 2; Ubushushu: 25 °C (1) ACD
logD -0.49 pH 3; Ubushushu: 25 °C (1) ACD
logD -0.49 pH 4; Ubushushu: 25 °C (1) ACD
logD -0.49 pH 5; Ubushushu: 25 °C (1) ACD
logD -0.49 pH 6; Ubushushu: 25 °C (1) ACD
logD -0.49 pH 7; Ubushushu: 25 °C (1) ACD
logD -0.49 pH 8; Ubushushu: 25 °C (1) ACD
logD -0.49 pH 9; Ubushushu: 25 °C (1) ACD
logD -0.49 pH 10; Ubushushu: 25 °C (1) ACD

 

Ipropati Ixabiso Imeko Umthombo
logP -0.491±0.556 Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMass Intrinsic 3.1 g/L Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 3.1 g/L pH 1; Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 3.1 g/L pH 2; Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 3.1 g/L pH 3; Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 3.1 g/L pH 4; Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 3.1 g/L pH 5; Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 3.1 g/L pH 6; Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 3.1 g/L pH 7; Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 3.1 g/L pH 8; Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 3.1 g/L pH 9; Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 3.1 g/L pH 10; Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 3.1 g/L Amanzi angaphazanyiswanga pH 6.94; Ubushushu: 25 °C (1) ACD
I-Molar Intrinsic Solubility 0.013 mol/L Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 0.013 mol/L pH 1; Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 0.013 mol/L pH 2; Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 0.013 mol/L pH 3; Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 0.013 mol/L pH 4; Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 0.013 mol/L pH 5; Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 0.013 mol/L pH 6; Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 0.013 mol/L pH 7; Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 0.013 mol/L pH 8; Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 0.013 mol/L pH 9; Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 0.013 mol/L pH 10; Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 0.013 mol/L Amanzi angaphazanyiswanga pH 6.94; Ubushushu: 25 °C (1) ACD
Ubunzima beMolekyuli 240.21    
pKa 12.56±0.60 Owona bushushu be-Acidic Temp: 25 °C (1) ACD
pKa -4.36±0.60 Eyona Tempile iSiseko: 25 °C (1) ACD
Uxinzelelo lomphunga 4.54 x 10-10 Torr Ubushushu: 25 °C (1) ACD

(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)

Ipropati Ixabiso Imeko Umthombo
Ukuxinana 1.88±0.1 g/cm3 Ubushushu: 20 °C; Cinezela: 760 Torr (1) ACD
Umthamo weMolar 127.5±7.0 cm3/mol Ubushushu: 20 °C; Cinezela: 760 Torr (1) ACD

(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)

Lipinski

Ipropati Ixabiso Imeko Umthombo
Iibhondi eziGuquguqukayo ngokukhululekileyo 3   (1) ACD
H Abamkeli 7   (1) ACD
H Abaxhasi 2   (1) ACD
H Umnikeli/uMamkeli Isambuku 9   (1) ACD
logP -0.491±0.556 Ubushushu: 25 °C (1) ACD
Ubunzima beMolekyuli 240.21    

(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)

Ulwakhiwo olunxulumeneyo

Ipropati Ixabiso Umthombo wemeko
Indawo yePolar Surface 91.6 A2 (1) ACD

(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)

Thermal

Ipropati Ixabiso Imeko Umthombo
Indawo yokubilisa 452.0±55.0 °C Cinezela: 760 Torr (1) ACD
I-Enthalpy yoMphunga 82.04±6.0 kJ/mol Cinezela: 760 Torr (1) ACD
Indawo yokuflasha 227.2±31.5 °C   (1) ACD

(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)

ISpectra eqikelelweyo

ISpectra ekhoyo ⁿ
1 H NMR
13 C NMR


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