C10h12N2o5 6H-Furo [2 ', 3': 4,5-a h-aon-ìre-3-methyl-, (2mh, 9As, 9As) - (ACI)

toradh

C10h12N2o5 6H-Furo [2 ', 3': 4,5-a h-aon-ìre-3-methyl-, (2mh, 9As, 9As) - (ACI)

Fiosrachadh bunaiteach:


Mion-fhiosrachadh toraidh

Tagaichean toraidh

Mion-fhiosrachadh stuthan

Àireamh Clàrs Cas

22423-26-3

Prìomh thogalaichean corporra Luach Suidheachadh
Cuideam molecular 240.21 -
Puing leaghte (deuchainneach) 218 ° C. Fuasgladh: ethanol; Isopropanol
Puing goil (ro-innse) 452.0 ± 55.0 ° C. Brùth: 760 Torr
Dùmhlachd (ro-innse) 1.88 ± 0.1 G / cm3 Temp: 20 ° C; Brùth: 760 Torr
paka (ro-innse) 12.56 ± 0.60 Temp as searbhagach: 25 ° C.

Ainmean is aithnichearan eile

Smiles Canonical

O = c1n = c2oc3c (O) C (OC3N2C = C1C) CO

Gàire isomicic

O [c @ h har 1 [C @] 2 ([C @] (3c) = / [c @@] 1co) [h]) [h]

Inchi

Inchi = 1s / c10h12N2o5 / C1-2-2-12-9-7-7 (6-13-, 6-, 7- / M1 / ​​S1

Iuchair Inchi

Wlloaucnumumyq-Jagxnfqsa-n

17 ainmean eile airson an stuth seo

(2R,3 R, 3aS, 9aR) -2,3A, 9A-Tetrahydro-3-hydroad-2- (hydroxyl) -7-methyl-6H-furo [2 ', 3': 4,5] oxazolo [3,2-a] pyrimidin-6-her (aci);

6H-Furo [2 ', 3': 4,5] oxazolo [3,2-a] Pyrimidin-6-6-Aon, 2,3, 9A-Tetoiry-3- (HydroxyL) -7-methyl- (6ci, 8ci, 8ci); 6H-Furo

[2 ', 3': 4,5] Oxazolo [3,2-a] pyrimidin-6-6-aon, 2,3,3a, 9A-Tetoiry-3-hydro-2- (hydroymyl) -7-methyl-, [2R- (2α, 3Β, 3aβ, 9aβ, 9a)] - (Zci Zci);

11: PN: US2004004004004699 Duilleag: 18 A 'tagradh DNA; 12: PN: US200400400400400400400400400455 Duilleag: 17- Thuirt 17 17- 22; 12: PN: US200400400400400400400400570 Duilleag: 18 A 'tagradh DNA; 12: PN: US20040040040040006029 Duilleag: 21 Airgraiche DNA; 12: PN: US20040040040014051 Duilleag: 21 Air an tagradh DNA; 1: PN: W20050 06958 Duilleag: 59 Chaidh 59 a-steach DNA; 2,2 '-Abhydro (1- β -D-arabasUrnouranyl) - 5-methylcilcil; 3: PN: WOMANT005007825 Duilleag: 59 A 'tagradh DNA; 84: PN: US200400400400400400400400007 Duilleag: 18 A 'tagradh DNA; 9: PN: US2004004004048 Duilleag: 19 A 'tagradh DNA; 9: PN: US2004004049 Duilleag: 19

Thuirt DNA;O2,2 '-ahydro-5-Methyluidine; O2,2 '-Ahydro-5-Methyluidine; Tk 112690

Togalaichean deuchainneach

Togalaichean rim faighinn
Thermal

Thermal

Seilbh Luach Suidheachadh Stòr
Puing leaghaidh 240-242 ° C. (1) cas
Puing leaghaidh 218 ° C. Fuasgladh: ethanol; Isopropanol (2) cas
Puing leaghaidh Faic an làn theacsa (3) cas
Puing leaghaidh Faic an làn theacsa (4) cas

(1) Olliveira, Maralise p .; Iris Comann Ceimigeach Brazilach, (2015), 26 (4), 816-821, carperlus

(2) Takatsuki, Ken-ichi; Nuccesoside, odscotides & ncccolites, (2006), 25 (7), 719-734, carplus

(3) Manaoghar, Muthiah; US20030088079, A1, 2003, CAPPLITLUL

(4) Miraglia, Loren J .; WOM2003048315, A2, 2003, CAPTLIPLI

Speactra deuchainneach

Spectra ri fhaighinn
1 h nmr
13 c nmr
Hetero nmr
Maise

Togalaichean ro-innse

Togalaichean rim faighinn
Bith-eòlasach
Ceimigeach
Dùmhlachd
Lipinski
Structar co-cheangailte
Thermal

Bith-eòlasach

Seilbh Luach Suidheachadh Stòr
Dà fhaclan bith-eòlasach 1.0 Ph 1; Temp: 25 ° C. (1) ACD
Dà fhaclan bith-eòlasach 1.0 Ph 2; Temp: 25 ° C. (1) ACD
Dà fhaclan bith-eòlasach 1.0 Ph 3; Temp: 25 ° C. (1) ACD
Dà fhaclan bith-eòlasach 1.0 Ph 4; Temp: 25 ° C. (1) ACD
Dà fhaclan bith-eòlasach 1.0 Ph 5; Temp: 25 ° C. (1) ACD
Dà fhaclan bith-eòlasach 1.0 Ph 6; Temp: 25 ° C. (1) ACD
Dà fhaclan bith-eòlasach 1.0 Ph 7; Temp: 25 ° C. (1) ACD
Dà fhaclan bith-eòlasach 1.0 Ph 8; Temp: 25 ° C. (1) ACD
Dà fhaclan bith-eòlasach 1.0 Ph 9; Temp: 25 ° C. (1) ACD
Dà fhaclan bith-eòlasach 1.0 Ph 10; Temp: 25 ° C. (1) ACD

(1) Air a thomhas a 'cleachdadh leasachadh ceimigeachd adhartach (ACD / LABS) Bathar-bog V11.02 (© 1994-2023 ACD / LAìoban)

Ceimigeach

Seilbh Luach Suidheachadh Stòr
Koc 12.9 Ph 1; Temp: 25 ° C. (1) ACD
Koc 12.9 Ph 2; Temp: 25 ° C. (1) ACD
Koc 12.9 Ph 3; Temp: 25 ° C. (1) ACD
Koc 12.9 Ph 4; Temp: 25 ° C. (1) ACD
Koc 12.9 Ph 5; Temp: 25 ° C. (1) ACD
Koc 12.9 Ph 6; Temp: 25 ° C. (1) ACD
Koc 12.9 Ph 7; Temp: 25 ° C. (1) ACD
Koc 12.9 Ph 8; Temp: 25 ° C. (1) ACD
Koc 12.9 Ph 9; Temp: 25 ° C. (1) ACD
Koc 12.9 Ph 10; Temp: 25 ° C. (1) ACD
logd -0.49 Ph 1; Temp: 25 ° C. (1) ACD
logd -0.49 Ph 2; Temp: 25 ° C. (1) ACD
logd -0.49 Ph 3; Temp: 25 ° C. (1) ACD
logd -0.49 Ph 4; Temp: 25 ° C. (1) ACD
logd -0.49 Ph 5; Temp: 25 ° C. (1) ACD
logd -0.49 Ph 6; Temp: 25 ° C. (1) ACD
logd -0.49 Ph 7; Temp: 25 ° C. (1) ACD
logd -0.49 Ph 8; Temp: 25 ° C. (1) ACD
logd -0.49 Ph 9; Temp: 25 ° C. (1) ACD
logd -0.49 Ph 10; Temp: 25 ° C. (1) ACD

 

Seilbh Luach Suidheachadh Stòr
logp -0.491 ± 0.556 Temp: 25 ° C. (1) ACD
Misneachd solbalileachd neo-ghnèitheach mòr 3.1 G / L Temp: 25 ° C. (1) ACD
Solbuility mòr 3.1 G / L Ph 1; Temp: 25 ° C. (1) ACD
Solbuility mòr 3.1 G / L Ph 2; Temp: 25 ° C. (1) ACD
Solbuility mòr 3.1 G / L Ph 3; Temp: 25 ° C. (1) ACD
Solbuility mòr 3.1 G / L Ph 4; Temp: 25 ° C. (1) ACD
Solbuility mòr 3.1 G / L Ph 5; Temp: 25 ° C. (1) ACD
Solbuility mòr 3.1 G / L Ph 6; Temp: 25 ° C. (1) ACD
Solbuility mòr 3.1 G / L Ph 7; Temp: 25 ° C. (1) ACD
Solbuility mòr 3.1 G / L Ph 8; Temp: 25 ° C. (1) ACD
Solbuility mòr 3.1 G / L Ph 9; Temp: 25 ° C. (1) ACD
Solbuility mòr 3.1 G / L Ph 10; Temp: 25 ° C. (1) ACD
Solbuility mòr 3.1 G / L Uisge neo-lobbuffered pH 6.94; Temp: 25 ° C. (1) ACD
Solbalileachd neo-ghnèitheach molar 0.013 Mol / L. Temp: 25 ° C. (1) ACD
Solubility molar 0.013 Mol / L. Ph 1; Temp: 25 ° C. (1) ACD
Solubility molar 0.013 Mol / L. Ph 2; Temp: 25 ° C. (1) ACD
Solubility molar 0.013 Mol / L. Ph 3; Temp: 25 ° C. (1) ACD
Solubility molar 0.013 Mol / L. Ph 4; Temp: 25 ° C. (1) ACD
Solubility molar 0.013 Mol / L. Ph 5; Temp: 25 ° C. (1) ACD
Solubility molar 0.013 Mol / L. Ph 6; Temp: 25 ° C. (1) ACD
Solubility molar 0.013 Mol / L. Ph 7; Temp: 25 ° C. (1) ACD
Solubility molar 0.013 Mol / L. Ph 8; Temp: 25 ° C. (1) ACD
Solubility molar 0.013 Mol / L. Ph 9; Temp: 25 ° C. (1) ACD
Solubility molar 0.013 Mol / L. Ph 10; Temp: 25 ° C. (1) ACD
Solubility molar 0.013 Mol / L. Uisge neo-lobbuffered pH 6.94; Temp: 25 ° C. (1) ACD
Cuideam molecular 240.21    
paka 12.56 ± 0.60 Temp as searbhagach: 25 ° C. (1) ACD
paka -4.36 ± 0.60 Temp as bunaitiche: 25 ° C. (1) ACD
Cuideam vapor 4.54 x 10-10 torr Temp: 25 ° C. (1) ACD

(1) Air a thomhas a 'cleachdadh leasachadh ceimigeachd adhartach (ACD / LABS) Bathar-bog V11.02 (© 1994-2023 ACD / LAìoban)

Seilbh Luach Suidheachadh Stòr
Dùmhlachd 1.88 ± 0.1 G / cm3 Temp: 20 ° C; Brùth: 760 Torr (1) ACD
Tomhas-lìonaidh molar 127.5 ± 7.0 cm3 / mol Temp: 20 ° C; Brùth: 760 Torr (1) ACD

(1) Air a thomhas a 'cleachdadh leasachadh ceimigeachd adhartach (ACD / LABS) Bathar-bog V11.02 (© 1994-2023 ACD / LAìoban)

Lipinski

Seilbh Luach Suidheachadh Stòr
Bannan gu tur ro-bheathaichte 3   (1) ACD
Hrrairean 7   (1) ACD
Hnors her 2   (1) ACD
H tabhartaiche / geurraiche suim 9   (1) ACD
logp -0.491 ± 0.556 Temp: 25 ° C. (1) ACD
Cuideam molecular 240.21    

(1) Air a thomhas a 'cleachdadh leasachadh ceimigeachd adhartach (ACD / LABS) Bathar-bog V11.02 (© 1994-2023 ACD / LAìoban)

Structar co-cheangailte

Seilbh Luach Stòr cumhachd
Raon uachdar pòla 91.6 A2 (1) ACD

(1) Air a thomhas a 'cleachdadh leasachadh ceimigeachd adhartach (ACD / LABS) Bathar-bog V11.02 (© 1994-2023 ACD / LAìoban)

Thermal

Seilbh Luach Suidheachadh Stòr
Point Point 452.0 ± 55.0 ° C. Brùth: 760 Torr (1) ACD
Enthalpy of Vaporization 82.04 ± 6.0 KJ / MOL Brùth: 760 Torr (1) ACD
Puing Flash 227.2 ± 31.5 ° C.   (1) ACD

(1) Air a thomhas a 'cleachdadh leasachadh ceimigeachd adhartach (ACD / LABS) Bathar-bog V11.02 (© 1994-2023 ACD / LAìoban)

Spectra ro-innse

Spectra ri fhaighinn ⁿ
1 h nmr
13 c nmr


  • Mus tèid:
  • An ath rud:

  • Sgrìobh do theachdaireachd an seo agus cuir thugainn e