C40h49n4o9p uridine, 5 '-o- [methoxyphenyl) fenylmethyl] -2' --o-methyl n, 3 '- [2-methylethyl) fosphoramidite] (ACI) featured image

C40h49n4o9p uridine, 5 '-o- [methoxyphenyl) fenylmethyl] -2' --o-methyl-, 3 '- [2-methylethyl) fosphoramidite] (aci)

Basisynformaasje:

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Produkt detail

Produkt tags

Substânsje detail

CAS Registry Number

110764-79-9

H335, H331, H319, H315, H311, H301 + H311 + H336, H301

Kaai fysike eigenskippen	Wearde	Betingst
Molekulêr gewicht	760.81	-
PKA (foarsizze)	9.39 ± 0.10	Meast Acidic Temp: 25 ° C

Oare nammen en identifisearders

Kanonyske glimkes

N # CCCOP (OC1C (OC (N2C = CC (= o) NC2 = O) C1OC) CC = CC = c = c = c (cv = c (c5) n (c (c (c) c) c (c (c (c) c) c = c / cc = c (c5) c = c (c5)

Isomeryske glimkes

C (oc [c @@ h] 1 [c @@ h] c) c (c (c (c) c) occc # n) [c @) c = c = c = c = c (c4) c = c = c = c = c = c = c = cv = cc = cv = c5

Inchi

Inchi = 1s / c40h49n4o9p / c1-27 (2) 44 (28 (3) 4) 54 (51-250 (52-38 (37 (37 (36) 49-39 (45) 46) 266) 266) 266) 266) 266) 266) 266) 266) 266) 266) 266) 266) 266) 266) 266) 266) 266) 266) 266) 266) 266) 266) 266) 266) 266) 266) 266) 266) 266) 266) 266) 266) 266) 266) 266) 266) 266) 266) 266) 266) 266) 266) 266) 266) 266) 266) 266) 266) 266) 266) 266) 266) 266) 266) 266) 266) 266) 266) 266) 266) 266) 266) 266) 266) 266) 266) 266) 266) 266) 266) 266) 266) 266) 266) 266) 266 2-9-8-10-13-29.30-14-32 (47-5) 19-15-30) 31-15-30) 31-16-20-33 (48-6) 21-17-31 / H8-10,12-22,24,27-28,2,36-38h, 11,25-26H2,1-7h3,

(H, 42,45,46) / T34-, 36-, 37-, 38-, 54? / M1 / S1

Inchi-kaai

UvuojolLddcihl-xkzjcbtisa-n

1 oare namme foar dizze substansje

Uridine, 5 '-O- [bis (4-methovyPhenyl) fenylmethyl] -2 '-O-MethyThyl-, 3 '- [2-Cyanoethyl bis (1-methylethyl) fosphoramidite] (9ci)

Spectra te krijen

Mis

Foarsichtich eigenskippen

Eigenskippen beskikber
Biologysk
Gemysk
Lipinski
Struktuer relatearre

Biologysk

Besit	Wearde	Betingst	Boarne
Bioconcentration Factor	254	pH 1; Temp: 25 ° C	(1) ACD
Bioconcentration Factor	2050	pH 2; Temp: 25 ° C	(1) ACD
Bioconcentration Factor	15400	pH 3; Temp: 25 ° C	(1) ACD
Bioconcentration Factor	46000	pH 4; Temp: 25 ° C	(1) ACD
Bioconcentration Factor	57500	pH 5; Temp: 25 ° C	(1) ACD
Bioconcentration Factor	58900	pH 6; Temp: 25 ° C	(1) ACD
Bioconcentration Factor	58900	pH 7; Temp: 25 ° C	(1) ACD
Bioconcentration Factor	56800	pH 8; Temp: 25 ° C	(1) ACD
Bioconcentration Factor	42300	pH 9; Temp: 25 ° C	(1) ACD
Bioconcentration Factor	12200	pH 10; Temp: 25 ° C	(1) ACD

Gemysk

Besit	Wearde	Betingst	Boarne
Koc	389	pH 1; Temp: 25 ° C	(1) ACD
Koc	3140	pH 2; Temp: 25 ° C	(1) ACD
Koc	23600	pH 3; Temp: 25 ° C	(1) ACD
Koc	70500	pH 4; Temp: 25 ° C	(1) ACD
Koc	88100	pH 5; Temp: 25 ° C	(1) ACD
Koc	90300	pH 6; Temp: 25 ° C	(1) ACD
Koc	90200	pH 7; Temp: 25 ° C	(1) ACD
Koc	87100	pH 8; Temp: 25 ° C	(1) ACD
Koc	64800	pH 9; Temp: 25 ° C	(1) ACD
Koc	18700	pH 10; Temp: 25 ° C	(1) ACD

Besit	Wearde	Betingst	Boarne
Logd	4.21	pH 1; Temp: 25 ° C	(1) ACD
Logd	5.12	pH 2; Temp: 25 ° C	(1) ACD
Logd	6.00 oere	pH 3; Temp: 25 ° C	(1) ACD
Logd	6.47	pH 4; Temp: 25 ° C	(1) ACD
Logd	6.57	pH 5; Temp: 25 ° C	(1) ACD
Logd	6.58	pH 6; Temp: 25 ° C	(1) ACD
Logd	6.58	pH 7; Temp: 25 ° C	(1) ACD
Logd	6.56	pH 8; Temp: 25 ° C	(1) ACD
Logd	6.44	pH 9; Temp: 25 ° C	(1) ACD
Logd	5.90	pH 10; Temp: 25 ° C	(1) ACD
Logp	6.581 ± 0.646	Temp: 25 ° C	(1) ACD
Massa intrinsike oplosmiddel	8,4 x 10-5 g / l	Temp: 25 ° C	(1) ACD
Massa-oplosberens	0.019 g / l	pH 1; Temp: 25 ° C	(1) ACD
Massa-oplosberens	2,4 x 10-3 g / l	pH 2; Temp: 25 ° C	(1) ACD
Massa-oplosberens	3.1 x 10-4 g / l	pH 3; Temp: 25 ° C	(1) ACD
Massa-oplosberens	1.1 X 10-4 G / L	pH 4; Temp: 25 ° C	(1) ACD
Massa-oplosberens	8,4 x 10-5 g / l	pH 5; Temp: 25 ° C	(1) ACD
Massa-oplosberens	8,4 x 10-5 g / l	pH 6; Temp: 25 ° C	(1) ACD
Massa-oplosberens	8,4 x 10-5 g / l	pH 7; Temp: 25 ° C	(1) ACD
Massa-oplosberens	8,4 x 10-5 g / l	pH 8; Temp: 25 ° C	(1) ACD
Massa-oplosberens	1.1 X 10-4 G / L	pH 9; Temp: 25 ° C	(1) ACD
Massa-oplosberens	4,0 x 10-4 G / L	pH 10; Temp: 25 ° C	(1) ACD
Massa-oplosberens	8,4 x 10-5 g / l	Unbuffered wetter Ph 7.00; Temp: 25 ° C	(1) ACD
Molêre yntrinsike oplosmiddel	1.1 X 10-7 Mol / L	Temp: 25 ° C	(1) ACD
Milarlabiliteit	2,5 x 10-5 mol / L	pH 1; Temp: 25 ° C	(1) ACD
Milarlabiliteit	3.1 x 10-6 Mol / L	pH 2; Temp: 25 ° C	(1) ACD
Milarlabiliteit	4.1 x 10-7 Mol / L	pH 3; Temp: 25 ° C	(1) ACD
Milarlabiliteit	1,4 x 10-7 Mol / L	pH 4; Temp: 25 ° C	(1) ACD
Milarlabiliteit	1.1 X 10-7 Mol / L	pH 5; Temp: 25 ° C	(1) ACD
Milarlabiliteit	1.1 X 10-7 Mol / L	pH 6; Temp: 25 ° C	(1) ACD
Milarlabiliteit	1.1 X 10-7 Mol / L	pH 7; Temp: 25 ° C	(1) ACD
Milarlabiliteit	1.1 X 10-7 Mol / L	pH 8; Temp: 25 ° C	(1) ACD

Besit	Wearde	Betingst	Boarne
Milarlabiliteit	1,5 x 10-7 mol / l	pH 9; Temp: 25 ° C	(1) ACD
Milarlabiliteit	5,2 x 10-7 Mol / L	pH 10; Temp: 25 ° C	(1) ACD
Milarlabiliteit	1.1 X 10-7 Mol / L	Unbuffered wetter Ph 7.00; Temp: 25 ° C	(1) ACD
Molekulêr gewicht	760.81
pka	9.39 ± 0.10	Meast Acidic Temp: 25 ° C	(1) ACD
pka	3.45 ± 0,70	Meast basic temp: 25 ° C	(1) ACD

Lipinski

Besit	Wearde	Betingst	Boarne
Frij rotatbere bonnen	18		(1) ACD
H akseptearders	13		(1) ACD
H Donors	1		(1) ACD
H Donor / akseptearje SUM	14		(1) ACD
Logp	6.581 ± 0.646	Temp: 25 ° C	(1) ACD
Molekulêr gewicht	760.81

Struktuer relatearre

Besit	Wearde	Betingst boarne
Polar oerflak	155 A2	(1) ACD

Foarseine spektra

Spectra te krijen
1 h nmr
13 C NMR

GHS-gefaarferklearring

Koade	Gefaarferklearring	Boarne
H335	Kin respiratoire irritaasje feroarsaakje	Ekspert Curated
H331	Toxic as ynhaleare	Ekspert Curated
H319	Feroarsaket serieuze eachirritaasje	Ekspert Curated
H315	Feroarsaket hûdirritaasje	Ekspert Curated

Koade	Gefaarferklearring	Boarne
H311	Toxic yn kontakt mei hûd	Ekspert Curated
H301 + H311 + H331	Toxic as se swalke, yn kontakt mei hûd of fan ynhale	Ekspert Curated
H301	Toxic as se swalke	Ekspert Curated