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)
Cas Subcriptio Number
22423-26-3
Key physica proprietatibus | Valor | Conditio |
Pondus | 240.21 | - |
Melting Point (experimentalem) | CCXVIII ° C | Solvente: Ethanol; Isopropanol |
Ferveret (praedicta) | 452.0 ± 55.0 ° C | Press: DCCLX Torr |
Density (praedicta) | 1.88 ± 0.1 G / CM3 | Temp: XX ° C; Press: DCCLX Torr |
Pka (praedicta) | 12.56 ± 0.60 | Most Acidic Temp: XXV ° C |
Canonica ridet
O = C1n = C2oc3c (o) C (OC3N2C = C1C) Co
Isomeric smiles
O [C @ h] I [C @] II ([C @] (N3C (O2) = NC (o =), (c @@] = C3.), [c @@] = c3) [C. @@] = c3. ([c @@] = c3) [c @@] = c3.), [c @@] = c3.) [c @@] = c3.) [c @@] = c3.), [c @@] = c3.), [c @@] = c3.) [c @@] = c3.), [c @@] = c3.), [c @@] = c3.) [c @@] = c3.), [c @@] = c3.) [c @@] = c3.), [c @@] = c3.) [c @@] = c3.), [c @@] = c3.), [c @@] = c3) [c @@], 1) [h] [= [h] (c] =@]
INCHI
Inchi = 1s / c10h12n2o5 / C1-4-2-12-9-7 (VI (XIV) V (3-13) 16-9) 17-10 (XII) 11-8 (IV) XV / H2,5-7,9,13-14h, 3H2,1H3 / T5-, 6-, VII +, 9- / M1 / S1
Key Inchi
Wlploaucnumyoqi, jagxhnfqsa, n
XVII alia nomina huius substantiae
(2R,3 R, 3aS, 9aR) -2,3,3a, 9a-tetrahydro-III-hydroxy-2- (hydroxymethyl) -7-y-methylH-furo [II, 'III, 4,5] Oxazolo [3,2-a] Pyimidin-VI, unum (aci);
6H-Furo [II, 'III, 4,5] Oxazolo [3,2-a] Pyimidin-VI-unus, 2,3,3a, 9a-Tetrahydro-III-hydroxy-2- (hydroxymethyl) -7-methyl- (6ci, 7ci, 8ci); VIH-Furo
[II ', III, 4,5] Oxazolo [3,2-a] Pyimidin-VI, 2,3,3a, 9a-Tetrahydro-III-hydroxy-2- (hydroxymethyl) -7, methyl-, [IIR- (2α, 3β, 3Aβ, 9Aβ)] - (Zci);
XI: PN: US20040014699 Page: XVIII petita DNA; XII: PN: US20040005565 Page: 17- XXII petita DNA; XII: PN: US20040005570 Page: XVIII petita DNA; XII: PN: US20040006029 Page: XXI petita DNA; XII: PN: US20040014051 Page: XXI petita DNA; I: PN: Wo20050 (VI) CMLVIII Page: LIX petita DNA; 2,2 '-Anhydro (1- β-Arabinofuranosyl) - V-methyloracil; III, PN: Wo2005007825 Page: LIX petita DNA; LXXXIV: PN: US20040005707 Page: XVIII petita DNA; IX: PN: US20040014048 Page: XIX petita DNA; IX: PN: US20040014049 Page: XIX
petita DNA;O2,2 '-Anhydro-V, Methyluridine; O2,2 '-Anhydro-V, Methyluridine; TK (CXII) DCXC
Proprietatibus praesto
Scelerum
Res | Valor | Conditio | Fons |
Point liquescens | 240-242 ° C | (I) CAS | |
Point liquescens | CCXVIII ° C | Solvente: Ethanol; Isopropanol | (II) CAS |
Point liquescens | Vide plena Text | (III) CAS | |
Point liquescens | Vide plena Text | (IV) CAS |
(I) Oliveira, Maralise P.; Journal de Brasiliensium Chemical Society (MMXV), XXVI (IV), 816-821, Caplus
(II) Takatsuki, Ken-Ichi; Nucleosides, nucleeol acida nucleotides & (MMVI), XXV (VII), 719-734, Caplus
(III) Manoharan, Mthiah; Us20030088079, A1, MMIII, Caplus
(IV) Miraglia, Loren j.; Wo2003048315, A2, MMIII, Caplus
Spectra availabl
I h NMR
XIII c NMR
Nmr hetero
Missa
Proprietatibus praesto
Biological
Proiectus
Densitas
Lipinski
Structuram related
Scelerum
Res | Valor | Conditio | Fons |
Bioconcentration factor | 1.0 | PH I; Temp: XXV ° C | (I) ACD |
Bioconcentration factor | 1.0 | PH II; Temp: XXV ° C | (I) ACD |
Bioconcentration factor | 1.0 | PH III; Temp: XXV ° C | (I) ACD |
Bioconcentration factor | 1.0 | PH IV; Temp: XXV ° C | (I) ACD |
Bioconcentration factor | 1.0 | PH V; Temp: XXV ° C | (I) ACD |
Bioconcentration factor | 1.0 | Ph VI; Temp: XXV ° C | (I) ACD |
Bioconcentration factor | 1.0 | PH VII; Temp: XXV ° C | (I) ACD |
Bioconcentration factor | 1.0 | PH VIII; Temp: XXV ° C | (I) ACD |
Bioconcentration factor | 1.0 | PH IX; Temp: XXV ° C | (I) ACD |
Bioconcentration factor | 1.0 | PH X; Temp: XXV ° C | (I) ACD |
(I) Calculus in ratione progressionem progressionem (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Res | Valor | Conditio | Fons |
Koc | 12,9 | PH I; Temp: XXV ° C | (I) ACD |
Koc | 12,9 | PH II; Temp: XXV ° C | (I) ACD |
Koc | 12,9 | PH III; Temp: XXV ° C | (I) ACD |
Koc | 12,9 | PH IV; Temp: XXV ° C | (I) ACD |
Koc | 12,9 | PH V; Temp: XXV ° C | (I) ACD |
Koc | 12,9 | Ph VI; Temp: XXV ° C | (I) ACD |
Koc | 12,9 | PH VII; Temp: XXV ° C | (I) ACD |
Koc | 12,9 | PH VIII; Temp: XXV ° C | (I) ACD |
Koc | 12,9 | PH IX; Temp: XXV ° C | (I) ACD |
Koc | 12,9 | PH X; Temp: XXV ° C | (I) ACD |
logd | -0.49 | PH I; Temp: XXV ° C | (I) ACD |
logd | -0.49 | PH II; Temp: XXV ° C | (I) ACD |
logd | -0.49 | PH III; Temp: XXV ° C | (I) ACD |
logd | -0.49 | PH IV; Temp: XXV ° C | (I) ACD |
logd | -0.49 | PH V; Temp: XXV ° C | (I) ACD |
logd | -0.49 | Ph VI; Temp: XXV ° C | (I) ACD |
logd | -0.49 | PH VII; Temp: XXV ° C | (I) ACD |
logd | -0.49 | PH VIII; Temp: XXV ° C | (I) ACD |
logd | -0.49 | PH IX; Temp: XXV ° C | (I) ACD |
logd | -0.49 | PH X; Temp: XXV ° C | (I) ACD |
Res | Valor | Conditio | Fons |
logp | -0.491 ± 0.556 | Temp: XXV ° C | (I) ACD |
Missam intrinsecam solubility | 3.1 g / l | Temp: XXV ° C | (I) ACD |
Missam solubility | 3.1 g / l | PH I; Temp: XXV ° C | (I) ACD |
Missam solubility | 3.1 g / l | PH II; Temp: XXV ° C | (I) ACD |
Missam solubility | 3.1 g / l | PH III; Temp: XXV ° C | (I) ACD |
Missam solubility | 3.1 g / l | PH IV; Temp: XXV ° C | (I) ACD |
Missam solubility | 3.1 g / l | PH V; Temp: XXV ° C | (I) ACD |
Missam solubility | 3.1 g / l | Ph VI; Temp: XXV ° C | (I) ACD |
Missam solubility | 3.1 g / l | PH VII; Temp: XXV ° C | (I) ACD |
Missam solubility | 3.1 g / l | PH VIII; Temp: XXV ° C | (I) ACD |
Missam solubility | 3.1 g / l | PH IX; Temp: XXV ° C | (I) ACD |
Missam solubility | 3.1 g / l | PH X; Temp: XXV ° C | (I) ACD |
Missam solubility | 3.1 g / l | Unbuffered aqua 6,94; Temp: XXV ° C | (I) ACD |
Molaris intrinsecam solubility | 0.013 MOL / l | Temp: XXV ° C | (I) ACD |
Molaris solubility | 0.013 MOL / l | PH I; Temp: XXV ° C | (I) ACD |
Molaris solubility | 0.013 MOL / l | PH II; Temp: XXV ° C | (I) ACD |
Molaris solubility | 0.013 MOL / l | PH III; Temp: XXV ° C | (I) ACD |
Molaris solubility | 0.013 MOL / l | PH IV; Temp: XXV ° C | (I) ACD |
Molaris solubility | 0.013 MOL / l | PH V; Temp: XXV ° C | (I) ACD |
Molaris solubility | 0.013 MOL / l | Ph VI; Temp: XXV ° C | (I) ACD |
Molaris solubility | 0.013 MOL / l | PH VII; Temp: XXV ° C | (I) ACD |
Molaris solubility | 0.013 MOL / l | PH VIII; Temp: XXV ° C | (I) ACD |
Molaris solubility | 0.013 MOL / l | PH IX; Temp: XXV ° C | (I) ACD |
Molaris solubility | 0.013 MOL / l | PH X; Temp: XXV ° C | (I) ACD |
Molaris solubility | 0.013 MOL / l | Unbuffered aqua 6,94; Temp: XXV ° C | (I) ACD |
Pondus | 240.21 | ||
PKA | 12.56 ± 0.60 | Most Acidic Temp: XXV ° C | (I) ACD |
PKA | -4.36 ± 0.60 | Maxime basic temp: XXV ° | (I) ACD |
Vapor | 10-10 X 4.54 Torr | Temp: XXV ° C | (I) ACD |
(I) Calculus in ratione progressionem progressionem (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Res | Valor | Conditio | Fons |
Densitas | 1.88 ± 0.1 G / CM3 | Temp: XX ° C; Press: DCCLX Torr | (I) ACD |
Molaris volumine | 127.5 ± 7.0 CM3 / mol | Temp: XX ° C; Press: DCCLX Torr | (I) ACD |
(I) Calculus in ratione progressionem progressionem (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Res | Valor | Conditio | Fons |
Sponte Rotatable vincula | 3 | (I) ACD | |
H acceptors | 7 | (I) ACD | |
H donos | 2 | (I) ACD | |
H donator / Acceptor Sum | 9 | (I) ACD | |
logp | -0.491 ± 0.556 | Temp: XXV ° C | (I) ACD |
Pondus | 240.21 |
(I) Calculus in ratione progressionem progressionem (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Res | Valor | Source |
Polar superficies regio | 91.6 A2 | (I) ACD |
(I) Calculus in ratione progressionem progressionem (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Res | Valor | Conditio | Fons |
PRAETERITUS | 452.0 ± 55.0 ° C | Press: DCCLX Torr | (I) ACD |
Enthalpy vaporation | 82.04 ± 6.0 KJ / mol | Press: DCCLX Torr | (I) ACD |
Flash Point | 227,2 ± 31.5 ° C | (I) ACD |
(I) Calculus in ratione progressionem progressionem (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Spectra praesto ⁿ
I h NMR
XIII c NMR