C9h10n2o5 6h-Furo [II ', III, 4,5] Oxazolo [3,2-a] Pyrimidin-VI-unum, 2,3,3a, 2, 9a-TETRA-VI-Hydroxy-2- (Hydroxymethyl, III-Hydroxy-2R, 9a-TETRA-VI-Hydroxy-2R (Hydroxymethyl), Hydroxy-2R, 9a-TETRHA ydro-III-hydroxy-2r, 9a-TETRH-III-Hydroxy-2r, 9a-TETRH) - (2r, III R, 3as, 9ar) - (9c, 3as, 9ar) - (9c, 3s), 9AR) - (9c, 3as) - (9c, 3s), 9ar) - (9c, 3as)
Cas Subcriptio Number
3736-77-4
Key physica proprietatibus | Valor | Conditio |
Pondus | 226,19 | - |
Melting Point (experimentalem) | 234-235 ° C | - |
Ferveret (praedicta) | 456.3 ± 55.0 ° C | Press: DCCLX Torr |
Density (praedicta) | 2.01 ± 0.1 G / CM3 | Temp: XX ° C; Press: DCCLX Torr |
Pka (praedicta) | 12.55 ± 0.40 | Most Acidic Temp: XXV ° C |
Canonica ridet
O = C1n = C2oc3c (o) C (OC3N2C = C1) Co
Isomeric smiles
O [C @ h] I [C @] II ([C @] (N3C (O2) = NC (O.] = C.] (O [c @@] = [h] [h] [h] [h] c = c3), [c] c = c3), [h] c = c3), [c] c = c3), [h] c = c3), [c] c = =), [h] c = c3), [h] c = c3), [c] c = c3), [h] c = c3), [h] c = c3), [c] c = c3), [h] c = c3), [c] c = c3), [c] = c *), [= [c] [h] [h] c = c3), [c] c = =), [h] c = c3), [h] c = c3), [c] c = =), [c] [h],
INCHI
InChI= 1S/C9H10N2O5/c12-3-4-6(14)7-8(15-4)11-2-1-5(13)10-9(11)16-7/h1-2,4,6-8,12,14H,3H2/t4-,6-,7+,8-/m1/s1
Key Inchi
Uugitdaswnoagg, ccxzuqqusa, n
XIII aliis nominibus ad hanc substantiam
(2r, III r, 3as, 9ar) -2,3,3a, 9a-tetrahydro-III-hydroxy-2- (hydroxymethyl) -6h-0- [II ', III,': 4,5] -6zozolo, [III -6H], VI-[ACI); 6H-Foto [II, 'III, 4,5] Oxazolo [3,2-a] Pyimidin-VI, 2,3,3a, 9a-Tetrahydro-III-Hydroxy, 2- (hydroxymethyl) - (6ci, 7ci); 6H-Foto [II ', III, 4,5] Oxazolo [3,2-a] Pyimidin-VI, 2,3,3A, 2,β-Tetraxymethyl, III-hydroxy, 2r- (2α, 3aβ, 3Aβ, 9A (Hydroxymethyl, III, 3Aβ, 9Aβ)] - (Zci); 6H-Foto [II ', III, 4,5] Oxazolo [3,2-a]
Pyrimidin-VI-unus, 2,3,3a, 9a-Tetrahydro-III-hydroxy-2- (hydroxymethyl) -, stereoisomer (8ci); 2,2 '-Anhydro (1. β-Arabinofuranosyl) Uracil; 2,2 '-Anhydro-1. β-Arabino, Furanosyluracil; 2,2 '-Anhydro, N1- (β -D-Arabinofuranosyl) Uracil; 2,2, -Anhydrouridine; 2,2, -o-cyclouridine; NSC (CLVII) CXLVIII; O2,2 '-Anhydrouridine; O2,2 '-ccloystidine; β -D-II ', II-o-cycloarabinouridine
Proprietatibus praesto
Optical et spargere
Scelerum
Res | Valor | Conditio | Fons |
Rotatory Powtical | -19 deg | Solvente: Methanol; Λ: 589.3 NM; Temp: XXVI ° C | (I) CAS |
(I) Codington, John F.; Journal de American Chemical Societate (MCMLXI), LXXXIII, 5030-1, Caplus
Res | Valor | Conditio | Fons |
Point liquescens | 250-253 ° C | (I) CAS | |
Point liquescens | CCXLVI ° C | Solvente: Ethanol; Isopropanol | (II) CAS |
Point liquescens | 242-245 ° C | (III) CAS | |
Point liquescens | 242-243 ° C | (IV) CAS | |
Point liquescens | 236-238 ° C (Decomp) | (V) CAS | |
Point liquescens | CCXXXIV ° C | (VI) CAS | |
Point liquescens | 234-235 ° C | (VII) CAS | |
Point liquescens | 233-234 ° C (Decomp) | Solvente: Methanol | (VIII) CAS |
Point liquescens | Vide plena Text | (IX) CAS |
(I) Lin, Kun-i.; Journal de Chinese eget Society (Taipei, Taiwan), (MMVII), LIV (II), 563-568, Caplus
(II) Takatsuki, Ken-Ichi; Nucleosides, nucleeol acida nucleotides & (MMVI), XXV (VII), 719-734, Caplus
(III) WNUK, f.; Stanislaw Journal de Organic Chemiae (MMII), LXVII (VI), 1816-1819, Caplus
(IV) Szlenkier, Maurycy; Nucleosides, nucleic acida nucleotides & (MMXVI), XXXV (VIII), 410-425, Caplus
(V) Marumoto, Ryuji; Takeda Kenkyusho Nenpo (MCMLXVII), XXVI, 21-3, Caplus
(VI) Krizmanic, irenae; Tetraedron (MMIII) LIX (XXIII), 4047-4057, Caplus
(VII) Brown, DM; Journal de Chemical Societate (MCMLVIII), 3035-8, Caplus
(VIII) li, heting; Saccharum Communications (MMVI), XXXVI (XIV), 1933-1940, Caplus
(IX) Codington, John F.; Journal de American Chemical Societate (MCMLXI), LXXXIII, 5030-1, Caplus
Spectra praesto
I h NMR
XIII c NMR
IR
Spectra praesto
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 | 7.66 | PH I; Temp: XXV ° C | (I) ACD |
Koc | 7.66 | PH II; Temp: XXV ° C | (I) ACD |
Koc | 7.66 | PH III; Temp: XXV ° C | (I) ACD |
Koc | 7.66 | PH IV; Temp: XXV ° C | (I) ACD |
Koc | 7.66 | PH V; Temp: XXV ° C | (I) ACD |
Koc | 7.66 | Ph VI; Temp: XXV ° C | (I) ACD |
Koc | 7.66 | PH VII; Temp: XXV ° C | (I) ACD |
Koc | 7.66 | PH VIII; Temp: XXV ° C | (I) ACD |
Res | Valor | Conditio | Fons |
Koc | 7.66 | PH IX; Temp: XXV ° C | (I) ACD |
Koc | 7.64 | PH X; Temp: XXV ° C | (I) ACD |
logd | -0.91 | PH I; Temp: XXV ° C | (I) ACD |
logd | -0.91 | PH II; Temp: XXV ° C | (I) ACD |
logd | -0.91 | PH III; Temp: XXV ° C | (I) ACD |
logd | -0.91 | PH IV; Temp: XXV ° C | (I) ACD |
logd | -0.91 | PH V; Temp: XXV ° C | (I) ACD |
logd | -0.91 | Ph VI; Temp: XXV ° C | (I) ACD |
logd | -0.91 | PH VII; Temp: XXV ° C | (I) ACD |
logd | -0.91 | PH VIII; Temp: XXV ° C | (I) ACD |
logd | -0.91 | PH IX; Temp: XXV ° C | (I) ACD |
logd | -0.91 | PH X; Temp: XXV ° C | (I) ACD |
logp | -0.906 ± 0.555 | Temp: XXV ° C | (I) ACD |
Missam intrinsecam solubility | 4.7 g / l | Temp: XXV ° C | (I) ACD |
Missam solubility | 4.7 g / l | PH I; Temp: XXV ° C | (I) ACD |
Missam solubility | 4.7 g / l | PH II; Temp: XXV ° C | (I) ACD |
Missam solubility | 4.7 g / l | PH III; Temp: XXV ° C | (I) ACD |
Missam solubility | 4.7 g / l | PH IV; Temp: XXV ° C | (I) ACD |
Missam solubility | 4.7 g / l | PH V; Temp: XXV ° C | (I) ACD |
Missam solubility | 4.7 g / l | Ph VI; Temp: XXV ° C | (I) ACD |
Missam solubility | 4.7 g / l | PH VII; Temp: XXV ° C | (I) ACD |
Missam solubility | 4.7 g / l | PH VIII; Temp: XXV ° C | (I) ACD |
Missam solubility | 4.7 g / l | PH IX; Temp: XXV ° C | (I) ACD |
Missam solubility | 4.7 g / l | PH X; Temp: XXV ° C | (I) ACD |
Missam solubility | 4.7 g / l | Unbuffered aqua 6,91; Temp: XXV ° C | (I) ACD |
Molaris intrinsecam solubility | 0.021 MOL / l | Temp: XXV ° C | (I) ACD |
Molaris solubility | 0.021 MOL / l | PH I; Temp: XXV ° C | (I) ACD |
Molaris solubility | 0.021 MOL / l | PH II; Temp: XXV ° C | (I) ACD |
Molaris solubility | 0.021 MOL / l | PH III; Temp: XXV ° C | (I) ACD |
Molaris solubility | 0.021 MOL / l | PH IV; Temp: XXV ° C | (I) ACD |
Molaris solubility | 0.021 MOL / l | PH V; Temp: XXV ° C | (I) ACD |
Molaris solubility | 0.021 MOL / l | Ph VI; Temp: XXV ° C | (I) ACD |
Res | Valor | Conditio | Fons |
Molaris solubility | 0.021 MOL / l | PH VII; Temp: XXV ° C | (I) ACD |
Molaris solubility | 0.021 MOL / l | PH VIII; Temp: XXV ° C | (I) ACD |
Molaris solubility | 0.021 MOL / l | PH IX; Temp: XXV ° C | (I) ACD |
Molaris solubility | 0.021 MOL / l | PH X; Temp: XXV ° C | (I) ACD |
Molaris solubility | 0.021 MOL / l | Unbuffered aqua 6,91; Temp: XXV ° C | (I) ACD |
Pondus | 226,19 | ||
PKA | 12.55 ± 0.40 | Most Acidic Temp: XXV ° C | (I) ACD |
PKA | -4.68 ± 0.60 | Maxime basic temp: XXV ° | (I) ACD |
Vapor | 3,04 x 10-10 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 | 2.01 ± 0.1 G / CM3 | Temp: XX ° C; Press: DCCLX Torr | (I) ACD |
Molaris volumine | 112.3 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 | -0.906 ± 0.555 | Temp: XXV ° C | (I) ACD |
Pondus | 226,19 |
(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 | 456.3 ± 55.0 ° C | Press: DCCLX Torr | (I) ACD |
Res | Valor | Conditio | Fons |
Enthalpy vaporation | 82,62 ± 6.0 KJ / mol | Press: DCCLX Torr | (I) ACD |
Flash Point | 229,8 ± 31.5 ° C | (I) ACD |
(I) Calculus in ratione progressionem progressionem (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Spectra praesto
I h NMR
XIII c NMR
Code aleam dicitur Source | |
H302 nocivis, si absorbuit | Europae chemical Agency (ECA) Classification & Labeling Inventory - Notified Classification et Labeling - Most Clementine_Vulgate Suspendisse, Europae Chemical Agency (ECA) Classification & Labeling Inventory - Notified Classification et Labeling - Most Suspendisse |