C30H28N2O7 6H-FURO [2 ′, 3 ′: 4,5] Oxazolo [3,2-a] pyrimidin-6-un, 2-[[bis (4-methoxy phenyl) phenylmethoxy] methyl] -2,3,3a, 3a-tetraxy, 9a-tetraxy, 9a-tetraxy, 9a. (9CI, ACI)

Gwybodaeth Sylfaenol:

Anfon E -bost atom

Manylion y Cynnyrch

Tagiau cynnyrch

Priodweddau Ffisegol

Priodweddau Ffisegol Allweddol	Gwerthfawrogom	Cyflyrasoch
Pwysau moleciwlaidd	528.55	-
Toddi (arbrofol)	129.5-130 ° C.	-
Berwbwynt (a ragwelir)	688.2 ± 65.0 ° C.	Gwasg: 760 Torr
Dwysedd (a ragwelir)	1.35 ± 0.1 g/cm3	Temp: 20 ° C; Gwasg: 760 Torr
PKA (a ragwelir)	12.51 ± 0.40	Mwyaf Temp Asidig: 25 ° C.

Enwau a dynodwyr eraill

Gwên Canonaidd O = C1N = C2OC3C (O) C (OC3N2C = C1) COC (C = 4C = CC = CC4) (C5 = CC = C (OC) C = C5) C6 = CC = CC = C (OC) C = C6
Gwên isomerig C (OC [C@H] 1O [c @@] 2 ([c@] ([c @@ h] 1o) (OC = 3n2c = cc (= o) n3) [h]) [h]) (c4 = cc = c (c (oc) c = c4) (c5 = c6) = c6)
Inchi
Inchi = 1S/C30H28N2O7/C1-35-22-12-8-20 (9-13-22) 30 (19-6-4-3-3-5-7-19,21-10-14-23 (36-2) 15-11-21) 37-18-24-26 (34) 27-2-2-) 32-2-) 32-28 (32-2- 16-25 (33) 31-29 (32) 39-27/H3-17,24,26-28,34H, 18h2,1-2h3/t24-, 26-, 27+, 28-/m1/s1
Allwedd inchi
OEirlWHcgaiCdW-aogfthlwsa-n
2 enw arall ar gyfer y sylwedd hwn
(2r, 3r, 3as, 9ar) -2-[[bis (4-methoxyphenyl) phenylmethoxy] methyl] -2,3,3a, 9a-tetrahydro-3-hydroxy-6H-furo [2 ′, 3 ′: 4,5]; 3,5]; 6h-furo [2 ′, 3 ′: 4,5] oxazolo [3,2-a] pyrimidin-6-un, 2-[[bis (4-methoxyphenyl) phenylmethoxy] methyl] -2,3,3a, 9a-

Tetrahydro-3-hydroxy-, [2R- (2α, 3β, 3Aβ, 9Aβ)]-(ZCI)

Eiddo arbrofol

Eiddo ar gael

Thermol

Thermol

Eiddo	Gwerthfawrogom	Cyflyrasoch	Ffynhonnell
Pwynt toddi	129.5-130 ° C.	(1) CAS

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

Sbectra arbrofol

Sbectra ar gael

1h nmr

13c nmr

Torfol

Eiddo a ragwelir

Eiddo ar gael

Biolegol

Gemegol

Ddwysedd

Lipinski

Strwythur yn gysylltiedig

Thermol

Biolegol

Eiddo	Gwerthfawrogom	Cyflyrasoch	Ffynhonnell
Ffactor Bio -ganolbwynt	1360	Ph 1; TEMP: 25 ° C.	(1) ACD
Ffactor Bio -ganolbwynt	1360	Ph 2; TEMP: 25 ° C.	(1) ACD
Ffactor Bio -ganolbwynt	1360	Ph 3; TEMP: 25 ° C.	(1) ACD
Ffactor Bio -ganolbwynt	1360	Ph 4; TEMP: 25 ° C.	(1) ACD
Ffactor Bio -ganolbwynt	1360	Ph 5; TEMP: 25 ° C.	(1) ACD
Ffactor Bio -ganolbwynt	1360	Ph 6; TEMP: 25 ° C.	(1) ACD
Ffactor Bio -ganolbwynt	1360	Ph 7; TEMP: 25 ° C.	(1) ACD

Eiddo	Gwerthfawrogom	Cyflyrasoch	Ffynhonnell
Ffactor Bio -ganolbwynt	1360	Ph 8; TEMP: 25 ° C.	(1) ACD
Ffactor Bio -ganolbwynt	1360	Ph 9; TEMP: 25 ° C.	(1) ACD
Ffactor Bio -ganolbwynt	1350	Ph 10; TEMP: 25 ° C.	(1) ACD

Gemegol

Eiddo	Gwerthfawrogom	Cyflyrasoch	Ffynhonnell
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
log	4.42	Ph 1; TEMP: 25 ° C.	(1) ACD
log	4.42	Ph 2; TEMP: 25 ° C.	(1) ACD
log	4.42	Ph 3; TEMP: 25 ° C.	(1) ACD
log	4.42	Ph 4; TEMP: 25 ° C.	(1) ACD
log	4.42	Ph 5; TEMP: 25 ° C.	(1) ACD
log	4.42	Ph 6; TEMP: 25 ° C.	(1) ACD
log	4.42	Ph 7; TEMP: 25 ° C.	(1) ACD
log	4.42	Ph 8; TEMP: 25 ° C.	(1) ACD
log	4.42	Ph 9; TEMP: 25 ° C.	(1) ACD
log	4.42	Ph 10; TEMP: 25 ° C.	(1) ACD
logio	4.424 ± 0.618	TEMP: 25 ° C.	(1) ACD
Hydoddedd cynhenid torfol	5.8 x 10-4 g/l	TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	5.8 x 10-4 g/l	Ph 1; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	5.8 x 10-4 g/l	Ph 2; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	5.8 x 10-4 g/l	Ph 3; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	5.8 x 10-4 g/l	Ph 4; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	5.8 x 10-4 g/l	Ph 5; TEMP: 25 ° C.	(1) ACD

Eiddo	Gwerthfawrogom	Cyflyrasoch	Ffynhonnell
Hydoddedd torfol	5.8 x 10-4 g/l	Ph 6; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	5.8 x 10-4 g/l	Ph 7; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	5.8 x 10-4 g/l	Ph 8; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	5.8 x 10-4 g/l	Ph 9; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	5.8 x 10-4 g/l	Ph 10; TEMP: 25 ° C.	(1) ACD
Hydoddedd torfol	5.8 x 10-4 g/l	Dŵr heb ei drin pH 7.00; TEMP: 25 ° C.	(1) ACD
Hydoddedd cynhenid molar	1.1 x 10-6 mol/l	TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	1.1 x 10-6 mol/l	Ph 1; TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	1.1 x 10-6 mol/l	Ph 2; TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	1.1 x 10-6 mol/l	Ph 3; TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	1.1 x 10-6 mol/l	Ph 4; TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	1.1 x 10-6 mol/l	Ph 5; TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	1.1 x 10-6 mol/l	Ph 6; TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	1.1 x 10-6 mol/l	Ph 7; TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	1.1 x 10-6 mol/l	Ph 8; TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	1.1 x 10-6 mol/l	Ph 9; TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	1.1 x 10-6 mol/l	Ph 10; TEMP: 25 ° C.	(1) ACD
Hydoddedd molar	1.1 x 10-6 mol/l	Dŵr heb ei drin pH 7.00; TEMP: 25 ° C.	(1) ACD
Pwysau moleciwlaidd	528.55
PKA	12.51 ± 0.40	Mwyaf Temp Asidig: 25 ° C.	(1) ACD
PKA	-4.70 ± 0.60	Temp mwyaf sylfaenol: 25 ° C.	(1) ACD
Pwysau anwedd	6.91 x 10-20 Torr	TEMP: 25 ° C.	(1) ACD

Ddwysedd

Eiddo	Gwerthfawrogom	Cyflyrasoch	Ffynhonnell
Ddwysedd	1.35 ± 0.1 g/cm3	Temp: 20 ° C; Gwasg: 760 Torr	(1) ACD
Cyfaint molar	389.8 ± 7.0 cm3/mol	Temp: 20 ° C; Gwasg: 760 Torr	(1) ACD

Lipinski

Eiddo	Gwerthfawrogom	Cyflyrasoch	Ffynhonnell
Bondiau rotatable yn rhydd	9	(1) ACD

Eiddo	Gwerthfawrogom	Cyflyrasoch	Ffynhonnell
H Derbynyddion	9		(1) ACD
H rhoddwyr	1		(1) ACD
H rhoddwr/derbynnydd swm	10		(1) ACD
logio	4.424 ± 0.618	TEMP: 25 ° C.	(1) ACD
Pwysau moleciwlaidd	528.55

Strwythur yn gysylltiedig

Eiddo	Gwerthfawrogom	Cyflyrasoch	Ffynhonnell
Arwynebedd pegynol	99.1 A2	(1) ACD

Thermol

Eiddo	Gwerthfawrogom	Cyflyrasoch	Ffynhonnell
Berwbwyntiau	688.2 ± 65.0 ° C.	Gwasg: 760 Torr	(1) ACD
Enthalpi anweddiad	105.96 ± 3.0 kJ/mol	Gwasg: 760 Torr	(1) ACD
Phwynt fflach	370.0 ± 34.3 ° C.		(1) ACD