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)

productio

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)

Basic Information:


Product Detail

Product Tags

Substantia detail

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

Alia nomina et identifiers

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

Experimentum proprietatibus

Proprietatibus praesto
Optical et spargere
Scelerum

Optical et scatering

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

Scelerum

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

Experimentalem spectra

Spectra praesto
I h NMR
XIII c NMR
IR
Spectra praesto
Missa

Praedixit possessiones

Proprietatibus praesto
Biological
Proiectus
Densitas
Lipinski
Structuram related
Scelerum

Biological

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)

Proiectus

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)

Densitas

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)

Lipinski

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)

Structuram related

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)

Scelerum

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)

Praedicta Spectra

Spectra praesto
I h NMR
XIII c NMR

GHS aleam dicta

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


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