C9H10N2O5 6H-FURO [2 ′, 3 ′: 4,5] Oxazolo [3,2-A] pyrimidin-6-un, 2,3,3a, 9a-tetrah ydro-3-hydroxy-2- (hydroxymethyl)-(2r, 3r, 3 r)-3r, 3 r)

nghynnyrch

C9H10N2O5 6H-FURO [2 ′, 3 ′: 4,5] Oxazolo [3,2-A] pyrimidin-6-un, 2,3,3a, 9a-tetrah ydro-3-hydroxy-2- (hydroxymethyl)-(2r, 3r, 3 r)-3r, 3 r)

Gwybodaeth Sylfaenol:


Manylion y Cynnyrch

Tagiau cynnyrch

Manylion Sylweddau

Rhif Cofrestrfa CAS

3736-77-4

Priodweddau Ffisegol Allweddol Gwerthfawrogom Cyflyrasoch
Pwysau moleciwlaidd 226.19 -
Toddi (arbrofol) 234-235 ° C. -
Berwbwynt (a ragwelir) 456.3 ± 55.0 ° C. Gwasg: 760 Torr
Dwysedd (a ragwelir) 2.01 ± 0.1 g/cm3 Temp: 20 ° C; Gwasg: 760 Torr
PKA (a ragwelir) 12.55 ± 0.40 Mwyaf Temp Asidig: 25 ° C.

Enwau a dynodwyr eraill

Gwenau canonaidd
O = C1n = C2OC3C (O) C (OC3N2C = C1) CO
Gwenau isomerig
O [c@h] 1 [c@] 2 ([c@] (n3c (o2) = nc (= o) c = c3) (o [c @@ h] 1co) [h]) [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/s1/s1/s1/s1/s1/s1/s1/s1/s1
Allwedd inchi
Uugitdaswnoagg-ccxzuqqusa-n
13 enwau eraill ar gyfer y sylwedd hwn
(2r, 3 r, 3as, 9ar) -2,3,3a, 9a-tetrahydro-3-hydroxy-2- (hydroxymethyl) -6h-furo [2 ′, 3 ′: 4,5] oxazolo [3,2-a] pyrimidin-6-one (aci); 6h-ffuro [2 ′, 3 ′: 4,5] Oxazolo [3,2-a] pyrimidin-6-un, 2,3,3a, 9a-tetrahydro-3-hydroxy-2- (hydroxymethyl)-(6ci, 7ci); 6h-furo [2 ′, 3 ′: 4,5] oxazolo [3,2-a] pyrimidin-6-one, 2,3,3a, 9a-tetrahydro-3-hydroxy-2- (hydroxymethyl)-, [2r- (2α, 3β); 6H-FURO [2 ′, 3 ′: 4,5] Oxazolo [3,2-A]

pyrimidin-6-un, 2,3,3a, 9a-tetrahydro-3-hydroxy-2- (hydroxymethyl)-, stereoisomer (8ci); 2,2 ′ -Hydro (1- β -D -arabinofuranosyl) uracil; 2,2 ′ -Hydro-1- β -D-Arabino-Furanosyluracil; 2,2 ′ -Hydro-N1- (β -D-Arabinofuranosyl) uracil; 2,2 ′ -HydRouridine; 2,2 ′ -o -cyclouridine; NSC 157148; O2,2 ′ -HydRouridine; O2,2 ′ -cyclouridine; β -d-2 ′, 2-o-cycloarabinouridine

Eiddo arbrofol

Eiddo ar gael
Optegol a gwasgaru
Thermol

Optegol a Scatering

Eiddo Gwerthfawrogom Cyflyrasoch Ffynhonnell
Pŵer cylchdro optegol -19 deg Toddydd: methanol; λ: 589.3 nm; TEMP: 26 ° C. (1) CAS

(1) Codington, John F.; Cyfnodolyn Cymdeithas Cemegol America, (1961), 83, 5030-1, Caplus

Thermol

Eiddo Gwerthfawrogom Cyflyrasoch Ffynhonnell
Pwynt toddi 250-253 ° C.   (1) CAS
Pwynt toddi 246 ° C. Toddydd: ethanol; Isopropanol (2) CAS
Pwynt toddi 242-245 ° C.   (3) CAS
Pwynt toddi 242-243 ° C.   (4) CAS
Pwynt toddi 236-238 ° C (dadelfennu)   (5) CAS
Pwynt toddi 234 ° C.   (6) CAS
Pwynt toddi 234-235 ° C.   (7) CAS
Pwynt toddi 233-234 ° C (dadelfennu) Toddydd: methanol (8) CAS
Pwynt toddi Gweler Testun Llawn   (9) CAS

(1) Lin, Kun-I .; Cyfnodolyn Cymdeithas Cemegol Tsieineaidd (Taipei, Taiwan), (2007), 54 (2), 563-568, Caplus

(2) Takatsuki, Ken-idd; Niwcleosidau, niwcleotidau ac asidau niwcleig, (2006), 25 (7), 719-734, Caplus

(3) Wnuk, Stanislaw F.; Cyfnodolyn Cemeg Organig, (2002), 67 (6), 1816-1819, Caplus

(4) Szlenkier, MauryCy; Niwcleosidau, niwcleotidau ac asidau niwcleig, (2016), 35 (8), 410-425, Caplus

(5) Marumoto, Ryuji; Takeda Kenkyusho Nenpo, (1967), 26, 21-3, Caplus

(6) Krizmanic, Irena; Tetrahedron, (2003), 59 (23), 4047-4057, Caplus

(7) Brown, DM; Journal of the Chemical Society, (1958), 3035-8, Caplus

(8) li, heting; Cyfathrebu Synthetig, (2006), 36 (14), 1933-1940, Caplus

(9) Codington, John F.; Cyfnodolyn Cymdeithas Cemegol America, (1961), 83, 5030-1, Caplus

Sbectra arbrofol

Sbectra ar gael
1 h nmr
13 C NMR
IR
Sbectra ar gael
Torfol

Eiddo a ragwelir

Eiddo ar gael
Biolegol
Gemegol
Ddwysedd
Lipinski
Strwythur yn gysylltiedig
Thermol

Biolegol

Eiddo Gwerthfawrogom Cyflyrasoch Ffynhonnell
Ffactor Bio -ganolbwynt 1.0 Ph 1; TEMP: 25 ° C. (1) ACD
Ffactor Bio -ganolbwynt 1.0 Ph 2; TEMP: 25 ° C. (1) ACD
Ffactor Bio -ganolbwynt 1.0 Ph 3; TEMP: 25 ° C. (1) ACD
Ffactor Bio -ganolbwynt 1.0 Ph 4; TEMP: 25 ° C. (1) ACD
Ffactor Bio -ganolbwynt 1.0 Ph 5; TEMP: 25 ° C. (1) ACD
Ffactor Bio -ganolbwynt 1.0 Ph 6; TEMP: 25 ° C. (1) ACD
Ffactor Bio -ganolbwynt 1.0 Ph 7; TEMP: 25 ° C. (1) ACD
Ffactor Bio -ganolbwynt 1.0 Ph 8; TEMP: 25 ° C. (1) ACD
Ffactor Bio -ganolbwynt 1.0 Ph 9; TEMP: 25 ° C. (1) ACD
Ffactor Bio -ganolbwynt 1.0 Ph 10; TEMP: 25 ° C. (1) ACD

(1) wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygu Cemeg Uwch (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)

Gemegol

Eiddo Gwerthfawrogom Cyflyrasoch Ffynhonnell
Koc 7.66 Ph 1; TEMP: 25 ° C. (1) ACD
Koc 7.66 Ph 2; TEMP: 25 ° C. (1) ACD
Koc 7.66 Ph 3; TEMP: 25 ° C. (1) ACD
Koc 7.66 Ph 4; TEMP: 25 ° C. (1) ACD
Koc 7.66 Ph 5; TEMP: 25 ° C. (1) ACD
Koc 7.66 Ph 6; TEMP: 25 ° C. (1) ACD
Koc 7.66 Ph 7; TEMP: 25 ° C. (1) ACD
Koc 7.66 Ph 8; TEMP: 25 ° C. (1) ACD

 

Eiddo Gwerthfawrogom Cyflyrasoch Ffynhonnell
Koc 7.66 Ph 9; TEMP: 25 ° C. (1) ACD
Koc 7.64 Ph 10; TEMP: 25 ° C. (1) ACD
log -0.91 Ph 1; TEMP: 25 ° C. (1) ACD
log -0.91 Ph 2; TEMP: 25 ° C. (1) ACD
log -0.91 Ph 3; TEMP: 25 ° C. (1) ACD
log -0.91 Ph 4; TEMP: 25 ° C. (1) ACD
log -0.91 Ph 5; TEMP: 25 ° C. (1) ACD
log -0.91 Ph 6; TEMP: 25 ° C. (1) ACD
log -0.91 Ph 7; TEMP: 25 ° C. (1) ACD
log -0.91 Ph 8; TEMP: 25 ° C. (1) ACD
log -0.91 Ph 9; TEMP: 25 ° C. (1) ACD
log -0.91 Ph 10; TEMP: 25 ° C. (1) ACD
logio -0.906 ± 0.555 TEMP: 25 ° C. (1) ACD
Hydoddedd cynhenid ​​torfol 4.7 g/l TEMP: 25 ° C. (1) ACD
Hydoddedd torfol 4.7 g/l Ph 1; TEMP: 25 ° C. (1) ACD
Hydoddedd torfol 4.7 g/l Ph 2; TEMP: 25 ° C. (1) ACD
Hydoddedd torfol 4.7 g/l Ph 3; TEMP: 25 ° C. (1) ACD
Hydoddedd torfol 4.7 g/l Ph 4; TEMP: 25 ° C. (1) ACD
Hydoddedd torfol 4.7 g/l Ph 5; TEMP: 25 ° C. (1) ACD
Hydoddedd torfol 4.7 g/l Ph 6; TEMP: 25 ° C. (1) ACD
Hydoddedd torfol 4.7 g/l Ph 7; TEMP: 25 ° C. (1) ACD
Hydoddedd torfol 4.7 g/l Ph 8; TEMP: 25 ° C. (1) ACD
Hydoddedd torfol 4.7 g/l Ph 9; TEMP: 25 ° C. (1) ACD
Hydoddedd torfol 4.7 g/l Ph 10; TEMP: 25 ° C. (1) ACD
Hydoddedd torfol 4.7 g/l Dŵr heb ei drin pH 6.91; TEMP: 25 ° C. (1) ACD
Hydoddedd cynhenid ​​molar 0.021 mol/l TEMP: 25 ° C. (1) ACD
Hydoddedd molar 0.021 mol/l Ph 1; TEMP: 25 ° C. (1) ACD
Hydoddedd molar 0.021 mol/l Ph 2; TEMP: 25 ° C. (1) ACD
Hydoddedd molar 0.021 mol/l Ph 3; TEMP: 25 ° C. (1) ACD
Hydoddedd molar 0.021 mol/l Ph 4; TEMP: 25 ° C. (1) ACD
Hydoddedd molar 0.021 mol/l Ph 5; TEMP: 25 ° C. (1) ACD
Hydoddedd molar 0.021 mol/l Ph 6; TEMP: 25 ° C. (1) ACD

 

Eiddo Gwerthfawrogom Cyflyrasoch Ffynhonnell
Hydoddedd molar 0.021 mol/l Ph 7; TEMP: 25 ° C. (1) ACD
Hydoddedd molar 0.021 mol/l Ph 8; TEMP: 25 ° C. (1) ACD
Hydoddedd molar 0.021 mol/l Ph 9; TEMP: 25 ° C. (1) ACD
Hydoddedd molar 0.021 mol/l Ph 10; TEMP: 25 ° C. (1) ACD
Hydoddedd molar 0.021 mol/l Dŵr heb ei drin pH 6.91; TEMP: 25 ° C. (1) ACD
Pwysau moleciwlaidd 226.19    
PKA 12.55 ± 0.40 Mwyaf Temp Asidig: 25 ° C. (1) ACD
PKA -4.68 ± 0.60 Temp mwyaf sylfaenol: 25 ° C. (1) ACD
Pwysau anwedd 3.04 x 10-10 Torr TEMP: 25 ° C. (1) ACD

(1) wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygu Cemeg Uwch (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)

Ddwysedd

Eiddo Gwerthfawrogom Cyflyrasoch Ffynhonnell
Ddwysedd 2.01 ± 0.1 g/cm3 Temp: 20 ° C; Gwasg: 760 Torr (1) ACD
Cyfaint molar 112.3 ± 7.0 cm3/mol Temp: 20 ° C; Gwasg: 760 Torr (1) ACD

(1) wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygu Cemeg Uwch (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)

Lipinski

Eiddo Gwerthfawrogom Cyflyrasoch Ffynhonnell
Bondiau rotatable yn rhydd 3 (1) ACD
H Derbynyddion 7 (1) ACD
H rhoddwyr 2 (1) ACD
H rhoddwr/derbynnydd swm 9 (1) ACD
logio -0.906 ± 0.555 TEMP: 25 ° C. (1) ACD
Pwysau moleciwlaidd 226.19

(1) wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygu Cemeg Uwch (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)

Strwythur yn gysylltiedig

Eiddo Gwerthfawrogom Ffynhonnell Cyflwr
Arwynebedd pegynol 91.6 A2 (1) ACD

(1) wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygu Cemeg Uwch (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)

Thermol

Eiddo Gwerthfawrogom Cyflyrasoch Ffynhonnell
Berwbwyntiau 456.3 ± 55.0 ° C. Gwasg: 760 Torr (1) ACD

 

Eiddo Gwerthfawrogom Cyflyrasoch Ffynhonnell
Enthalpi anweddiad 82.62 ± 6.0 kj/mol Gwasg: 760 Torr (1) ACD
Phwynt fflach 229.8 ± 31.5 ° C.   (1) ACD

(1) wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygu Cemeg Uwch (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)

Sbectra a ragwelir

Sbectra ar gael
1 h nmr
13 C NMR

Datganiadau Perygl GHS

Ffynhonnell Datganiad Perygl Cod
H302 niweidiol os caiff ei lyncu Dosbarthiad a Labelu Asiantaeth Gemegol Ewropeaidd (ECHA)

Rhestr - Dosbarthiad a Labelu Hysbysedig - Hysbysiadau Mwyaf Cyffredin, Asiantaeth Gemegol Ewropeaidd (ECHA)

Rhestr Dosbarthu a Labelu - Dosbarthiad a Labelu Hysbysedig - Hysbysiadau mwyaf difrifol


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