C34H39N3O8 Cytiidine, 5'-O- [BIS (4-Methoxyphenil) Phenylmmethlethl) -2'-O (25 -5 (9ci, aci)

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C34H39N3O8 Cytiidine, 5'-O- [BIS (4-Methoxyphenil) Phenylmmethlethl) -2'-O (25 -5 (9ci, aci)

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Pasipatan fisik

Sipat fisik konci Nilai Kaayaan
Beurat molekular 617.69 -
Titik ngagolak (diprediksi) 762.6 ± 70.0 ° C Pencét: 760 Torr
Kapadetan (diprediksi) 1.27 ± 0,1 g / cm3 Temp: 20 ° C; Pencét: 760 Torr
Pair (diprediksi) 13.31 ± 0,70 TEMP anu paling asam: 25 ° C

Ngaran sareng identifikasi

Kanonical imones o = c1n = c (n) c (= cn1c2oc (co (c = 3c = c5) c. Ck = c
Isomeric SMILES C(OC[C@H]1O[C@H]([C@H](OCCOC)[C@@H]1O)N2C(=O)N=C(N)C(C)=C2)(C3=CC=C(OC)C=C3)(C4=CC=C(OC)C=C4)C5=CC=CC=C5
Atchi
Inci = 1s / C34H39N3O8 / C1-22-20-37 (33 (39) 36-31 (22) 32-18-18) 23-32.7-8-12) 23-32.7-808) 1-3)15-11-24)25-12-16-27(42-4)17-13-25/h5-17,20,28-30,32,38H,18-19,21H2,1-4H3,(H2,35,36,39)/t28-,29-,30-,32-/m1/s1
Konci inci
Lyktvjjxzqtztnpkk-ptamlimua-n
24 ngaran séjén pikeun zat ieu
5'-o- [bis (4-metroxyphenylesil). -2'-o (2-Met Metylcyrylil (aci); aci); 11: PN: US20030170606060: 17: 17 ngaku RNA; 12: PN: US2003003002161604 Halaman: 18 ngaku RA; 12: PN: US2003002030303017: 19 ngaku RA; 14: PN: US200496569 PA: 21 ngaku RA; 15: PN: US200995555554 Halaman: 17- 22 ngaku RNA; 15: PN: US2004000400055555550: 19 ngaku RA; 15: PN: U S2004000603030: 22 ngaku RA; 15: PN: US200400400484 248: 19 Sebutkeun R NA; 16: PN: US2003001003013131313: 9 ngaku Rna; 16: PN: US20030030301999654 Halaman: 19 Sebutkeun R NA; 16: Pn: US20040040049 Patarosan: Halaman: 19 ngaku RA; 16: PN: US20040040049 halaman:

19 ngaku RNA; 17: PN: US2004004000014 211 Halaman: 21 ngaku RA; 17: PN: US200400400699 Halaman: 19 ngaku R TA; 17: PN: w
O03106645 Halaman: 69 ngaku RA; 18: PN: US20040006000006029: 22 ngaku RA; 2'-O-Metroxylettl-5'-O-DI-DI-5- Metilytidine; 58: PN: US200300300303334: 15 klaim r na; 5: Pn: Wo200500500694 halaman: 61 ngaku RA; 7: PN: Wo20050 27825 Halaman: 61 ngaku RA; 82: PN: US200200402015664 halaman: 18 ngaku R NA; 89: PN: US200999907 Halaman: 19 Sebutkeun R NA; 9: PN: Wo03087478: 56 ngaku RA

Diulalkeun sipat

Sipat sayogi
Biologis
Kimia
Perténaran
Lipinski
Struktur patali
Theresalia

Biologis

Harta Nilai Kaayaan Sumber
Faktor bioconcation 1,56 pH 1; Temp: 25 ° C (1) ACD
Faktor bioconcation 1.99 pH 2; Temp: 25 ° C (1) ACD
Faktor bioconcation 6.19 pH 3; Temp: 25 ° C (1) ACD
Faktor bioconcation 38.0 pH 4; Temp: 25 ° C (1) ACD
Faktor bioconcation 116 pH 5; Temp: 25 ° C (1) ACD
Faktor bioconcation 146 pH 6; Temp: 25 ° C (1) ACD
Faktor bioconcation 150 pH 7; Temp: 25 ° C (1) ACD
Faktor bioconcation 151 pH 8; Temp: 25 ° C (1) ACD
Faktor bioconcation 151 pH 9; Temp: 25 ° C (1) ACD
Faktor bioconcation 151 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 13.0 pH 1; Temp: 25 ° C (1) ACD
Kub 16.6 pH 2; Temp: 25 ° C (1) ACD
Kub 51.8 pH 3; Temp: 25 ° C (1) ACD
Kub 318 pH 4; Temp: 25 ° C (1) ACD
Kub 966 pH 5; Temp: 25 ° C (1) ACD
Kub 1220 pH 6; Temp: 25 ° C (1) ACD
Kub 1260 pH 7; Temp: 25 ° C (1) ACD

 

Harta Nilai Kaayaan Sumber
Kub 1260 pH 8; Temp: 25 ° C (1) ACD
Kub 1260 pH 9; Temp: 25 ° C (1) ACD
Kub 1260 pH 10; Temp: 25 ° C (1) ACD
log As 1.18 pH 1; Temp: 25 ° C (1) ACD
log As 1.29 pH 2; Temp: 25 ° C (1) ACD
log As 1.78 pH 3; Temp: 25 ° C (1) ACD
log As 2.57 pH 4; Temp: 25 ° C (1) ACD
log As 3.05 pH 5; Temp: 25 ° C (1) ACD
log As 3.16 pH 6; Temp: 25 ° C (1) ACD
log As 3.17 pH 7; Temp: 25 ° C (1) ACD
log As 3.17 pH 8; Temp: 25 ° C (1) ACD
log As 3.17 pH 9; Temp: 25 ° C (1) ACD
log As 3.17 pH 10; Temp: 25 ° C (1) ACD
logp 3.169 ± 0.598 Temp: 25 ° C (1) ACD
Kebar intrinsik massic 5.2 x 10-3 g / l Temp: 25 ° C (1) ACD
Sahubat massa 0.51 g / l pH 1; Temp: 25 ° C (1) ACD
Sahubat massa 0,40 g / l pH 2; Temp: 25 ° C (1) ACD
Sahubat massa 0.13 g / l pH 3; Temp: 25 ° C (1) ACD
Sahubat massa 0,020 g / l pH 4; Temp: 25 ° C (1) ACD
Sahubat massa 6,8 x 10-3 g / l pH 5; Temp: 25 ° C (1) ACD
Sahubat massa 5.4 x 10-3 g / l pH 6; Temp: 25 ° C (1) ACD
Sahubat massa 5.3 x 10-3 g / l pH 7; Temp: 25 ° C (1) ACD
Sahubat massa 5.2 x 10-3 g / l pH 8; Temp: 25 ° C (1) ACD
Sahubat massa 5.2 x 10-3 g / l pH 9; Temp: 25 ° C (1) ACD
Sahubat massa 5.2 x 10-3 g / l pH 10; Temp: 25 ° C (1) ACD
Sahubat massa 5.3 x 10-3 g / l Cai pH pH 7,05; Temp: 25 ° C (1) ACD
Kebar intrinsik molar 8.4 x 10-6 mol / l Temp: 25 ° C (1) ACD
Kahirupan molar 8.2 x 10-4 mol / l pH 1; Temp: 25 ° C (1) ACD
Kahirupan molar 6,4 x 10-4 mol / l pH 2; Temp: 25 ° C (1) ACD
Kahirupan molar 2.1 x 10-4 mol / l pH 3; Temp: 25 ° C (1) ACD
Kahirupan molar 3.3 x 10-5 mol / l pH 4; Temp: 25 ° C (1) ACD
Kahirupan molar 1.1 x 10-5 mol / l pH 5; Temp: 25 ° C (1) ACD

 

Harta Nilai Kaayaan Sumber
Kahirupan molar 8.7 x 10-6 mol / l pH 6; Temp: 25 ° C (1) ACD
Kahirupan molar 8.5 x 10-6 mol / l pH 7; Temp: 25 ° C (1) ACD
Kahirupan molar 8.4 x 10-6 mol / l pH 8; Temp: 25 ° C (1) ACD
Kahirupan molar 8.4 x 10-6 mol / l pH 9; Temp: 25 ° C (1) ACD
Kahirupan molar 8.4 x 10-6 mol / l pH 10; Temp: 25 ° C (1) ACD
Kahirupan molar 8.5 x 10-6 mol / l Cai pH pH 7,05; Temp: 25 ° C (1) ACD
Beurat molekular 617.69    
Pka 13.31 ± 0,70 TEMP anu paling asam: 25 ° C (1) ACD
Pka 4.58 ± 0,10 Paling dasar temp: 25 ° C (1) ACD
Tekenan uap 1,89 x 10-24 toror 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 1.27 ± 0,1 g / cm3 Temp: 20 ° C; Pencét: 760 Torr (1) ACD
Masar 483.8 ± 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 14   (1) ACD
H panarima 11   (1) ACD
H donor 3   (1) ACD
H donor / panarima 14   (1) ACD
logp 3.169 ± 0.598 Temp: 25 ° C (1) ACD
Beurat molekular 617.69    

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

Struktur patali

Harta Nilai

Kaayaan

Sumber
Daérah permukaan polar 134 A2 (1) ACD

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

Theresalia

Harta Nilai Kaayaan Sumber
Titik anu ngagolak 762.6 ± 70.0 ° C Pencét: 760 Torr (1) ACD
Enthalpy tina vaporisasi 116.53 ± 3.0 kj / mol Pencét: 760 Torr (1) ACD
Titik kaingetan 415.0 ± 35.7 ° C   (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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