C33H35N3O8 Cytiid, n-aki-5'-o- [BIS (4-Methoxyphenil) Phenylmmethletl) -2'- (9ci, Aci)

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C33H35N3O8 Cytiid, n-aki-5'-o- [BIS (4-Methoxyphenil) Phenylmmethletl) -2'- (9ci, Aci)

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Pasipatan fisik

Sipat fisik konci Nilai Kaayaan
Beurat molekular 601.65 -
Kapadetan (diprediksi) 1.28 ± 0,1 g / cm3 Temp: 20 ° C; Pencét: 760 Torr
Pair (diprediksi) 10.19 ± 0,20 TEMP anu paling asam: 25 ° C

Ngaran sareng identifikasi

Kanonical imut o = c1n = c (c = cn1c2oc (co (c = 3c = cc = c4) c5) c1) cing
Isomesik isomer c (OC [C @ H] 1o [C @ H] ([C @ H] (CC)
Atchi
Inchi = 1s / C33H35n3o8 / C1-21 (37) 34-28-18-18-18 (32 (39-580) 27-750) 280 15-18-23) 27-12-16-26 (41-3) 17-13-24 / H5-19,27,29-31,39h, 20h2-, 39-, 398)
Konci inci
Finuhilillilq-pmfucwta-n
1 ngaran sanés pikeun zat ieu
N-aki-5'-O- [BIS (4-Methoxyphenyl) Phenylmmethletl] -2'-o-methi)

Diulalkeun sipat

Sipat sayogi
Biologis
Kimia
Perténaran
Lipinski
Struktur patali

Biologis

Harta Nilai Kaayaan Sumber
Faktor bioconcation 8.87 pH 1; Temp: 25 ° C (1) ACD
Faktor bioconcation 27.8 pH 2; Temp: 25 ° C (1) ACD
Faktor bioconcation 171 pH 3; Temp: 25 ° C (1) ACD
Faktor bioconcation 515 pH 4; Temp: 25 ° C (1) ACD
Faktor bioconcation 650 pH 5; Temp: 25 ° C (1) ACD
Faktor bioconcation 668 pH 6; Temp: 25 ° C (1) ACD
Faktor bioconcation 668 pH 7; Temp: 25 ° C (1) ACD
Faktor bioconcation 657 pH 8; Temp: 25 ° C (1) ACD
Faktor bioconcation 560 pH 9; Temp: 25 ° C (1) ACD
Faktor bioconcation 229 pH 10; Temp: 25 ° C (1) ACD

(1) Diitung nganggo pangembangan kimia maju (ACD / Lab) Software v11.02 (© 199-202 Acd / LCS)

Kimia

Harta Nilai Kaayaan Sumber
Kub 48.6 pH 1; Temp: 25 ° C (1) ACD
Kub 152 pH 2; Temp: 25 ° C (1) ACD
Kub 935 pH 3; Temp: 25 ° C (1) ACD
Kub 2820 pH 4; Temp: 25 ° C (1) ACD
Kub 3560 pH 5; Temp: 25 ° C (1) ACD
Kub 3660 pH 6; Temp: 25 ° C (1) ACD
Kub 3660 pH 7; Temp: 25 ° C (1) ACD
Kub 3600 pH 8; Temp: 25 ° C (1) ACD
Kub 3070 pH 9; Temp: 25 ° C (1) ACD
Kub 1250 pH 10; Temp: 25 ° C (1) ACD
log As 2.14 pH 1; Temp: 25 ° C (1) ACD
log As 2.64 pH 2; Temp: 25 ° C (1) ACD

 

Harta Nilai Kaayaan Sumber
log As 3.43 pH 3; Temp: 25 ° C (1) ACD
log As 3.91 pH 4; Temp: 25 ° C (1) ACD
log As 4.01 pH 5; Temp: 25 ° C (1) ACD
log As 4.02 pH 6; Temp: 25 ° C (1) ACD
log As 4.02 pH 7; Temp: 25 ° C (1) ACD
log As 4.01 pH 8; Temp: 25 ° C (1) ACD
log As 3.94 pH 9; Temp: 25 ° C (1) ACD
log As 3.55 pH 10; Temp: 25 ° C (1) ACD
logp 4.021 ± 0.768 Temp: 25 ° C (1) ACD
Kebar intrinsik massic 1,3 x 10-3 g / l Temp: 25 ° C (1) ACD
Sahubat massa 0,10 g / l pH 1; Temp: 25 ° C (1) ACD
Sahubat massa 0,032 g / l pH 2; Temp: 25 ° C (1) ACD
Sahubat massa 5.2 x 10-3 g / l pH 3; Temp: 25 ° C (1) ACD
Sahubat massa 1,7 x 10-3 g / l pH 4; Temp: 25 ° C (1) ACD
Sahubat massa 1.4 x 10-3 g / l pH 5; Temp: 25 ° C (1) ACD
Sahubat massa 1,3 x 10-3 g / l pH 6; Temp: 25 ° C (1) ACD
Sahubat massa 1,3 x 10-3 g / l pH 7; Temp: 25 ° C (1) ACD
Sahubat massa 1,3 x 10-3 g / l pH 8; Temp: 25 ° C (1) ACD
Sahubat massa 1,6 x 10-3 g / l pH 9; Temp: 25 ° C (1) ACD
Sahubat massa 3.9 x 10-3 g / l pH 10; Temp: 25 ° C (1) ACD
Sahubat massa 1,3 x 10-3 g / l Cai pH 6,99; Temp: 25 ° C (1) ACD
Kebar intrinsik molar 2.2 x 10-6 mol / l Temp: 25 ° C (1) ACD
Kahirupan molar 1,7 x 10-4 mol / l pH 1; Temp: 25 ° C (1) ACD
Kahirupan molar 5.3 x 10-5 mol / l pH 2; Temp: 25 ° C (1) ACD
Kahirupan molar 8.6 x 10-6 mol / l pH 3; Temp: 25 ° C (1) ACD
Kahirupan molar 2.9 x 10-6 mol / l pH 4; Temp: 25 ° C (1) ACD
Kahirupan molar 2.3 x 10-6 mol / l pH 5; Temp: 25 ° C (1) ACD
Kahirupan molar 2.2 x 10-6 mol / l pH 6; Temp: 25 ° C (1) ACD
Kahirupan molar 2.2 x 10-6 mol / l pH 7; Temp: 25 ° C (1) ACD
Kahirupan molar 2.2 x 10-6 mol / l pH 8; Temp: 25 ° C (1) ACD
Kahirupan molar 2.6 x 10-6 mol / l pH 9; Temp: 25 ° C (1) ACD
Kahirupan molar 6,4 x 10-6 mol / l pH 10; Temp: 25 ° C (1) ACD

 

Harta Nilai Kaayaan Sumber
Kahirupan molar 2.2 x 10-6 mol / l Cai pH 6,99; Temp: 25 ° C (1) ACD
Beurat molekular 601.65    
Pka 10.19 ± 0,20 TEMP anu paling asam: 25 ° C (1) ACD
Pka 3.57 ± 0,20 Paling dasar temp: 25 ° C (1) ACD

(1) Diitung nganggo pangembangan kimia maju (ACD / Lab) Software v11.02 (© 199-202 Acd / LCS)

Perténaran

Harta Nilai Kaayaan Sumber
Perténaran 1.28 ± 0,1 g / cm3 Temp: 20 ° C; Pencét: 760 Torr (1) ACD
Masar 466.5 ± 7.0 cm3 / mol Temp: 20 ° C; Pencét: 760 Torr (1) ACD

(1) Diitung nganggo pangembangan kimia maju (ACD / Lab) Software v11.02 (© 199-202 Acd / LCS)

Lipinski

Harta Nilai Kaayaan Sumber
Beungkeut bébas rotét 11   (1) ACD
H panarima 11   (1) ACD
H donor 2   (1) ACD
H donor / panarima 13   (1) ACD
logp 4.021 ± 0.768 Temp: 25 ° C (1) ACD
Beurat molekular 601.65    

(1) Diitung nganggo pangembangan kimia maju (ACD / Lab) Software v11.02 (© 199-202 Acd / LCS)

Struktur patali

Harta Nilai

Kaayaan

Sumber
Daérah permukaan polar 128 A2 (1) ACD

(1) Diitung nganggo pangembangan kimia maju (ACD / Lab) Software v11.02 (© 199-202 Acd / LCS)

Spéktra ngaduga spéktra

Spéktra sayogi
1h nmr
13c nmr


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