![C30H28N2O7 6h-furo [2 '5: 4,5] Oxazolo [3,2-A] Pyrimidin-6-One - [[[[[[4-Metoxy Phenyl) fenilmetoxia] metiloa, 9a-tetrahydro-3-hydroxy-, 9ar, 9ar) - (9ci, aci)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C30H28N2O7 6h-furo [2 '5: 4,5] Oxazolo [3,2-A] Pyrimidin-6-One - [[[[[[4-Metoxy Phenyl) fenilmetoxia] metiloa, 9a-tetrahydro-3-hydroxy-, 9ar, 9ar) - (9ci, aci) Nabarmendutako irudia](https://cdn.globalso.com/nvchem/C30H28N2O7-6H-Furo.jpg)
C30H28N2O7 6h-furo [2 '5: 4,5] Oxazolo [3,2-A] Pyrimidin-6-One - [[[[[[4-Metoxy Phenyl) fenilmetoxia] metiloa, 9a-tetrahydro-3-hydroxy-, 9ar, 9ar) - (9ci, aci)
| Ezaugarri fisikoak funtsezkoak | Balio | Baldintza |
| Pisu molekularra | 528,55 | - |
| Urtzeko puntua (esperimentala) | 129,5-130 ° C | - |
| Irakite-puntua (aurreikusita) | 688.2 ± 65,0 ° C | Prentsa: 760 Torr |
| Dentsitatea (aurreikusitakoa) | 1,35 ± 0,1 g / cm3 | Temp: 20 ° C; Prentsa: 760 Torr |
| pka (aurreikusita) | 12,51 ± 0,40 | Gai azido gehienak: 25 ° C |
Irribarre kanonikoak o = c1n = c2oc3c (o) c (oc3n2c = c1) coc (c = 4C = cc = cc4) (c5 = cc = c (oc) c = c5) c6 = cc = c (oc) c = cc) c = c6
Irribarre isomerikoak c (oc [c @ h] 2 ([c @] ([c @] ([h] 1o) ([h] 1) (h]) [h]) [h]) [h]) (c = cc = c (cc) c = c5) c6 = cc = cc = cc = c6
Inchi
INCHI = 1S / C30H28N2O7 / C1-35-22-12-8-20 (19-6-4-3-3-5-7-19-11-21-23 (36-2) 15-11-21) 37-18-24-26 (34) 27-28 (38-24) 32-17- 16-25 (33) 33-29 (32) 39-27 / h3-17,24,26-28,34h, 18h2,1-2H3 / t24-, 26-27 +, 28- / m1 / s1
Inchi gakoa
Oeirlwhcgaicdw-aogfthlwsa-n
2 substantzia honetarako beste izen batzuk
(2R, 3R, 3AS, 9AR) -2 - [[[BIS (4-metoxyphenyl) fenilmetoxia] -2,3,3a, 9a-tetrahydro-3-hydroxy-6h-furo [2 ': 3,5] Oxazolo [3,2-a] Pyrimidin-6-One (ACI); 6h-furo [2 ', 3,5: oxazolo [3,2-a] Pyrimidin-6-bat, 2 - [[[BIS (4-metoxyphenyl) fenilmetoxia] Metil] -2,3,3a, 9a-
tetrahydro-3-hydroxy-, [2R- (2α, 3β, 3aβ, 9aβ)] - (zci)
| Ezaugarriak eskuragarri |
| Termal |
Termal
| Jabetasun | Balio | Baldintza | Iturri |
| Urtzeko puntua | 129,5-130 ° C | (1) CAS | |
(1) Szlenkier, Maurycy; Nukleoesidoak, nukleotidoak eta azido nukleikoak, (2016), 35 (8), 410-425, Caplus
| Espektroak eskuragarri |
| 1h nmr |
| 13C NMR |
| IR |
| Mordo |
Aurreikusitako propietateak
| Ezaugarriak eskuragarri |
| Biologiko |
| Gai kimiko |
| Dentsitate |
| Lipinski |
| Egitura erlazionatua |
| Termal |
Biologiko
| Jabetasun | Balio | Baldintza | Iturri |
| Bioconcentration faktorea | 1360 | pH 1; Temp: 25 ° C | (1) ACD |
| Bioconcentration faktorea | 1360 | PH 2; Temp: 25 ° C | (1) ACD |
| Bioconcentration faktorea | 1360 | pH 3; Temp: 25 ° C | (1) ACD |
| Bioconcentration faktorea | 1360 | PH 4; Temp: 25 ° C | (1) ACD |
| Bioconcentration faktorea | 1360 | PH 5; Temp: 25 ° C | (1) ACD |
| Bioconcentration faktorea | 1360 | PH 6; Temp: 25 ° C | (1) ACD |
| Bioconcentration faktorea | 1360 | PH 7; Temp: 25 ° C | (1) ACD |
| Jabetasun | Balio | Baldintza | Iturri |
| Bioconcentration faktorea | 1360 | PH 8; Temp: 25 ° C | (1) ACD |
| Bioconcentration faktorea | 1360 | PH 9; Temp: 25 ° C | (1) ACD |
| Bioconcentration faktorea | 1350 | pH 10; Temp: 25 ° C | (1) ACD |
(1) Kimika aurreratua garatzea (ACD / LABS) softwarea erabiliz kalkulatuta (© 1994-2023 ACD / Labs)
Gai kimiko
| Jabetasun | Balio | Baldintza | Iturri |
| Koc | 6080 | pH 1; Temp: 25 ° C | (1) ACD |
| Koc | 6080 | PH 2; Temp: 25 ° C | (1) ACD |
| Koc | 6080 | pH 3; Temp: 25 ° C | (1) ACD |
| Koc | 6080 | PH 4; Temp: 25 ° C | (1) ACD |
| Koc | 6080 | PH 5; Temp: 25 ° C | (1) ACD |
| Koc | 6080 | PH 6; Temp: 25 ° C | (1) ACD |
| Koc | 6080 | PH 7; Temp: 25 ° C | (1) ACD |
| Koc | 6080 | PH 8; Temp: 25 ° C | (1) ACD |
| Koc | 6070 | PH 9; Temp: 25 ° C | (1) ACD |
| Koc | 6060 | pH 10; Temp: 25 ° C | (1) ACD |
| sintika | 4,42 | pH 1; Temp: 25 ° C | (1) ACD |
| sintika | 4,42 | PH 2; Temp: 25 ° C | (1) ACD |
| sintika | 4,42 | pH 3; Temp: 25 ° C | (1) ACD |
| sintika | 4,42 | PH 4; Temp: 25 ° C | (1) ACD |
| sintika | 4,42 | PH 5; Temp: 25 ° C | (1) ACD |
| sintika | 4,42 | PH 6; Temp: 25 ° C | (1) ACD |
| sintika | 4,42 | PH 7; Temp: 25 ° C | (1) ACD |
| sintika | 4,42 | PH 8; Temp: 25 ° C | (1) ACD |
| sintika | 4,42 | PH 9; Temp: 25 ° C | (1) ACD |
| sintika | 4,42 | pH 10; Temp: 25 ° C | (1) ACD |
| logpp | 4.424 ± 0,618 | Temp: 25 ° C | (1) ACD |
| Intrinsic disolbagarritasuna | 5,8 x 10-4 g / l | Temp: 25 ° C | (1) ACD |
| Disolbagarritasun masiboa | 5,8 x 10-4 g / l | pH 1; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun masiboa | 5,8 x 10-4 g / l | PH 2; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun masiboa | 5,8 x 10-4 g / l | pH 3; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun masiboa | 5,8 x 10-4 g / l | PH 4; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun masiboa | 5,8 x 10-4 g / l | PH 5; Temp: 25 ° C | (1) ACD |
| Jabetasun | Balio | Baldintza | Iturri |
| Disolbagarritasun masiboa | 5,8 x 10-4 g / l | PH 6; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun masiboa | 5,8 x 10-4 g / l | PH 7; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun masiboa | 5,8 x 10-4 g / l | PH 8; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun masiboa | 5,8 x 10-4 g / l | PH 9; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun masiboa | 5,8 x 10-4 g / l | pH 10; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun masiboa | 5,8 x 10-4 g / l | URAREN PHIKOA 7,00; Temp: 25 ° C | (1) ACD |
| Molar berezko disolbagarritasuna | 1.1 x 10-6 mol / l | Temp: 25 ° C | (1) ACD |
| Disolbagarritasun molarra | 1.1 x 10-6 mol / l | pH 1; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun molarra | 1.1 x 10-6 mol / l | PH 2; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun molarra | 1.1 x 10-6 mol / l | pH 3; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun molarra | 1.1 x 10-6 mol / l | PH 4; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun molarra | 1.1 x 10-6 mol / l | PH 5; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun molarra | 1.1 x 10-6 mol / l | PH 6; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun molarra | 1.1 x 10-6 mol / l | PH 7; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun molarra | 1.1 x 10-6 mol / l | PH 8; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun molarra | 1.1 x 10-6 mol / l | PH 9; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun molarra | 1.1 x 10-6 mol / l | pH 10; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun molarra | 1.1 x 10-6 mol / l | URAREN PHIKOA 7,00; Temp: 25 ° C | (1) ACD |
| Pisu molekularra | 528,55 | ||
| pka | 12,51 ± 0,40 | Gai azido gehienak: 25 ° C | (1) ACD |
| pka | -4,70 ± 0,60 | Oinarrizko tenperatura: 25 ° C | (1) ACD |
| Lurrunaren presioa | 6,91 x 10-20 Torr | Temp: 25 ° C | (1) ACD |
(1) Kimika aurreratua garatzea (ACD / LABS) softwarea erabiliz kalkulatuta (© 1994-2023 ACD / Labs)
Dentsitate
| Jabetasun | Balio | Baldintza | Iturri |
| Dentsitate | 1,35 ± 0,1 g / cm3 | Temp: 20 ° C; Prentsa: 760 Torr | (1) ACD |
| Bolumen molarra | 389,8 ± 7,0 cm3 / mol | Temp: 20 ° C; Prentsa: 760 Torr | (1) ACD |
(1) Kimika aurreratua garatzea (ACD / LABS) softwarea erabiliz kalkulatuta (© 1994-2023 ACD / Labs)
Lipinski
| Jabetasun | Balio | Baldintza | Iturri |
| Lotura libreki birakariak | 9 | (1) ACD | |
| Jabetasun | Balio | Baldintza | Iturri |
| H Onartzaileak | 9 | (1) ACD | |
| H Emaileak | 1 | (1) ACD | |
| H emaile / onartzaileen batura | 10 | (1) ACD | |
| logpp | 4.424 ± 0,618 | Temp: 25 ° C | (1) ACD |
| Pisu molekularra | 528,55 |
(1) Kimika aurreratua garatzea (ACD / LABS) softwarea erabiliz kalkulatuta (© 1994-2023 ACD / Labs)
Egitura erlazionatua
| Jabetasun | Balio | Baldintza | Iturri |
| Azalera polarra | 99.1 A2 | (1) ACD | |
(1) Kimika aurreratua garatzea (ACD / LABS) softwarea erabiliz kalkulatuta (© 1994-2023 ACD / Labs)
Termal
| Jabetasun | Balio | Baldintza | Iturri |
| Irakiten puntua | 688.2 ± 65,0 ° C | Prentsa: 760 Torr | (1) ACD |
| Lurruntzeko entalpia | 105,96 ± 3.0 kJ / mol | Prentsa: 760 Torr | (1) ACD |
| Flash puntu | 370,0 ± 34,3 ° C | (1) ACD |
(1) Kimika aurreratua garatzea (ACD / LABS) softwarea erabiliz kalkulatuta (© 1994-2023 ACD / Labs)
Espektroak eskuragarri
1h nmr
13C NMR
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