C31H32N2O8 uridine, 5'-o- [bis (4-methovyphenyl) fenylmethyl] -2'-o-methyl- (9c i, aci)

produkt

C31H32N2O8 uridine, 5'-o- [bis (4-methovyphenyl) fenylmethyl] -2'-o-methyl- (9c i, aci)

Basisynformaasje:


Produkt detail

Produkt tags

Fysike eigenskippen

Kaai fysike eigenskippen Wearde Betingst
Molekulêr gewicht 560.60 -
Tichtheid (foarsizze) 1,35 ± 0,1 g / cm3 Temp: 20 ° C; Parse: 760 Torr
PKA (foarsizze) 9.39 ± 0.10 Meast Acidic Temp: 25 ° C

Oare nammen en identifisearders

Kanonyske glimkes o = c1c = cn (c (= o) n1) c2oc (cc = c (cc = c (c4) c = cv = c (cv = c (c5) c = c5) c (o) c2oc
Isomeryske glimket c (oc [c @ h] 1O [c @ h] (oc) [c @@ H] 1O) (= cc = c = c = c = c = c (c4) c = c = c = c = c = cv = cc = c5
Inchi
Inchi = 1s / c31h32n2o8 / c1-37-23-9-21 (10-14-23) 31 (10-14-250 (3-7-5-6-6-6-11-11-11-15-27 (38-22-22) 40-19-25-27 (35) 28 (39-3) 29 (41-3)
33-18-17-26 (32) 32-30 (33) 32 / H4-18,25,27-29,35, 19,35h, 19h2,1-3h3, (H, 32,34,36) / T25-, 27- / M1 / ​​S1
Inchi-kaai
Mfdhavfjdsrpkc-yxinzvnlsa-n
2 oare nammen foar dizze substansje
5'-o- [bis (4-methovyPhenyl) fenylmethyl] -2'-o-methyluridine (aci); 5'-o- (4,4'-dimethoxytrityl) -2'-o-methyluridine

Eksperimintele spektra

Spectra te krijen
1h nmr
Mis

Foarsichtich eigenskippen

Eigenskippen beskikber
Biologysk
Gemysk
Densheid
Lipinski
Struktuer relatearre

Biologysk

Besit Wearde Betingst Boarne
Bioconcentration Factor 1240 pH 1; Temp: 25 ° C (1) ACD
Bioconcentration Factor 1240 pH 2; Temp: 25 ° C (1) ACD
Bioconcentration Factor 1240 pH 3; Temp: 25 ° C (1) ACD
Bioconcentration Factor 1240 pH 4; Temp: 25 ° C (1) ACD
Bioconcentration Factor 1240 pH 5; Temp: 25 ° C (1) ACD
Bioconcentration Factor 1240 pH 6; Temp: 25 ° C (1) ACD
Bioconcentration Factor 1230 pH 7; Temp: 25 ° C (1) ACD
Bioconcentration Factor 1190 pH 8; Temp: 25 ° C (1) ACD
Bioconcentration Factor 861 pH 9; Temp: 25 ° C (1) ACD
Bioconcentration Factor 238 pH 10; Temp: 25 ° C (1) ACD

(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)

Gemysk

Besit Wearde Betingst Boarne
Koc 5690 pH 1; Temp: 25 ° C (1) ACD
Koc 5690 pH 2; Temp: 25 ° C (1) ACD
Koc 5690 pH 3; Temp: 25 ° C (1) ACD
Koc 5690 pH 4; Temp: 25 ° C (1) ACD
Koc 5690 pH 5; Temp: 25 ° C (1) ACD
Koc 5690 pH 6; Temp: 25 ° C (1) ACD
Koc 5670 pH 7; Temp: 25 ° C (1) ACD
Koc 5450 pH 8; Temp: 25 ° C (1) ACD

 

Besit Wearde Betingst Boarne
Koc 3960 pH 9; Temp: 25 ° C (1) ACD
Koc 1100 pH 10; Temp: 25 ° C (1) ACD
Logd 4.37 pH 1; Temp: 25 ° C (1) ACD
Logd 4.37 pH 2; Temp: 25 ° C (1) ACD
Logd 4.37 pH 3; Temp: 25 ° C (1) ACD
Logd 4.37 pH 4; Temp: 25 ° C (1) ACD
Logd 4.37 pH 5; Temp: 25 ° C (1) ACD
Logd 4.37 pH 6; Temp: 25 ° C (1) ACD
Logd 4.37 pH 7; Temp: 25 ° C (1) ACD
Logd 4.35 pH 8; Temp: 25 ° C (1) ACD
Logd 4.21 pH 9; Temp: 25 ° C (1) ACD
Logd 3.66 pH 10; Temp: 25 ° C (1) ACD
Logp 4.372 ± 0.582 Temp: 25 ° C (1) ACD
Massa intrinsike oplosmiddel 3,7 x 10-4 g / l Temp: 25 ° C (1) ACD
Massa-oplosberens 3,7 x 10-4 g / l pH 1; Temp: 25 ° C (1) ACD
Massa-oplosberens 3,7 x 10-4 g / l pH 2; Temp: 25 ° C (1) ACD
Massa-oplosberens 3,7 x 10-4 g / l pH 3; Temp: 25 ° C (1) ACD
Massa-oplosberens 3,7 x 10-4 g / l pH 4; Temp: 25 ° C (1) ACD
Massa-oplosberens 3,7 x 10-4 g / l pH 5; Temp: 25 ° C (1) ACD
Massa-oplosberens 3,7 x 10-4 g / l pH 6; Temp: 25 ° C (1) ACD
Massa-oplosberens 3,7 x 10-4 g / l pH 7; Temp: 25 ° C (1) ACD
Massa-oplosberens 3,8 x 10-4 g / l pH 8; Temp: 25 ° C (1) ACD
Massa-oplosberens 5.3 x 10-4 G / L pH 9; Temp: 25 ° C (1) ACD
Massa-oplosberens 1,9 x 10-3 g / l pH 10; Temp: 25 ° C (1) ACD
Massa-oplosberens 3,7 x 10-4 g / l Unbuffered water phel 6; Temp: 25 ° C (1) ACD
Molêre yntrinsike oplosmiddel 6.6 X 10-7 Mol / L Temp: 25 ° C (1) ACD
Milarlabiliteit 6.6 X 10-7 Mol / L pH 1; Temp: 25 ° C (1) ACD
Milarlabiliteit 6.6 X 10-7 Mol / L pH 2; Temp: 25 ° C (1) ACD
Milarlabiliteit 6.6 X 10-7 Mol / L pH 3; Temp: 25 ° C (1) ACD
Milarlabiliteit 6.6 X 10-7 Mol / L pH 4; Temp: 25 ° C (1) ACD
Milarlabiliteit 6.6 X 10-7 Mol / L pH 5; Temp: 25 ° C (1) ACD
Milarlabiliteit 6.6 X 10-7 Mol / L pH 6; Temp: 25 ° C (1) ACD

 

Besit Wearde Betingst Boarne
Milarlabiliteit 6.6 X 10-7 Mol / L pH 7; Temp: 25 ° C (1) ACD
Milarlabiliteit 6,8 x 10-7 Mol / L pH 8; Temp: 25 ° C (1) ACD
Milarlabiliteit 9,4 x 10-7 mol / l pH 9; Temp: 25 ° C (1) ACD
Milarlabiliteit 3.4 x 10-6 Mol / L pH 10; Temp: 25 ° C (1) ACD
Milarlabiliteit 6.6 X 10-7 Mol / L Unbuffered water phel 6; Temp: 25 ° C (1) ACD
Molekulêr gewicht 560.60    
pka 9.39 ± 0.10 Meast Acidic Temp: 25 ° C (1) ACD

(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)

Densheid

Besit Wearde Betingst Boarne
Densheid 1,35 ± 0,1 g / cm3 Temp: 20 ° C; Parse: 760 Torr (1) ACD
Molar volume 412,9 ± 5,0 cm3 / Mol Temp: 20 ° C; Parse: 760 Torr (1) ACD

(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)

Lipinski

Besit Wearde Betingst Boarne
Frij rotatbere bonnen 11   (1) ACD
H akseptearders 10   (1) ACD
H Donors 2   (1) ACD
H Donor / akseptearje SUM 12   (1) ACD
Logp 4.372 ± 0.582 Temp: 25 ° C (1) ACD
Molekulêr gewicht 560.60    

(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)

Struktuer relatearre

Besit Wearde

Betingst

Boarne
Polar oerflak 116 A2 (1) ACD

(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)

Foarseine spektra

Spectra te krijen
1h nmr
13C NMR


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