C34H39N3O8 Sitidin, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-(2-methox yethyl)-5-methyl- (9CI, ACI)

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C34H39N3O8 Sitidin, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-(2-methox yethyl)-5-methyl- (9CI, ACI)

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Detail Produk

Tag produk

Sifat fisik

Properti Fisik Kunci Nilai kahanan
Bobot Molekul 617.69 -
Titik didih (diprediksi) 762,6±70,0 °C Pencet: 760 Torr
Kapadhetan (Prediksi) 1,27±0,1 g/cm3 Suhu: 20 °C;Pencet: 760 Torr
pKa (Prediksi) 13.31±0.70 Suhu Paling Asam: 25 °C

Jeneng Liyane lan Identifiers

SENYUMAN Kanonik O=C1N=C(N)C(=CN1C2OC(COC(C=3C=CC=CC3)(C4=CC=C(OC)C=C4)C5=CC=C(OC)C=C5) C(O)C2OCCOC)C
Isomerik 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
IngChI
InChI=1S/C34H39N3O8/c1-22-20-37(33(39)36-31(22)35)32-30(43-19-18-40-2)29(38)28(45-32) 21-44-34(23-8-6-5-7-9-23,24-10-14-26(4 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
Kunci Inchi
LYKTVJJXZQTNPK-PBAMLIMUSA-N
24 Jeneng Liyane kanggo Zat iki
5′-O-[Bis(4-methoxyphenyl)phenylmethyl]-2′-O-(2-methoxyethyl)-5-methylcytidine (ACI);11: PN: US20030170636 PAGE: 17 ngaku RNA;12: PN: US20030211606 PAGE: 18 ngaku R NA;12: PN: US20030212017 PAGE: 19 ngaku R NA;14: PN: US20040005569 PAG E: 21 ngaku R NA;15: PN: US20040005565 PAGE: 17- 22 ngaku RNA;15: PN: US20040005570 PAGE: 19 ngaku R NA;15: PN: U S20040006030 PAGE: 22 ngaku R NA;15: PN: US20040014048 PAGE: 19 ngaku R NA;16: PN: US20030171313 PAGE: 9 ngaku RNA;16: PN: US20030198965 PAGE: 19 ngaku R NA;16: PN: US20040014047 PAGE: 19 ngaku R NA;16: PN: US20040014049 HALAMAN:

19 ngaku RNA;17: PN: US20040014051 PAGE: 21 ngaku R NA;17: PN: US20040014699 PAGE: 19 ngaku R NA;17: PN: W
O03106645 PAGE: 69 ngaku R NA;18: PN: US20040006029 PAGE: 22 ngaku R NA;2′-O-Methoxyethyl-5′-O-dimethoxytrityl-5- methylcytidine;58: PN: US20030166592 PAGE: 15 ngaku R NA;5: PN: WO2005006958 PAGE: 61 ngaku R NA;7: PN: WO20050 07825 PAGE: 61 ngaku R NA;82: PN: US20040171566 PAGE: 18 ngaku R NA;89: PN: US20040005707 PAGE: 19 ngaku R NA;9: PN: WO03084478 PAGE: 56 ngaku R NA

Properti sing diprediksi

Properti kasedhiya
biologi
Kimia
Kapadhetan
Lipinski
Struktur Gegandhengan
Thermal

biologi

Properti Nilai kahanan Sumber
Faktor biokonsentrasi 1.56 pH 1;Suhu: 25 °C (1) ACD
Faktor biokonsentrasi 1.99 pH 2;Suhu: 25 °C (1) ACD
Faktor biokonsentrasi 6.19 pH 3;Suhu: 25 °C (1) ACD
Faktor biokonsentrasi 38.0 pH 4;Suhu: 25 °C (1) ACD
Faktor biokonsentrasi 116 pH 5;Suhu: 25 °C (1) ACD
Faktor biokonsentrasi 146 pH 6;Suhu: 25 °C (1) ACD
Faktor biokonsentrasi 150 pH 7;Suhu: 25 °C (1) ACD
Faktor biokonsentrasi 151 pH 8;Suhu: 25 °C (1) ACD
Faktor biokonsentrasi 151 pH 9;Suhu: 25 °C (1) ACD
Faktor biokonsentrasi 151 pH 10;Suhu: 25 °C (1) ACD

(1) Dietung nggunakake Piranti Lunak Pengembangan Kimia Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)

Kimia

Properti Nilai kahanan Sumber
Koc 13.0 pH 1;Suhu: 25 °C (1) ACD
Koc 16.6 pH 2;Suhu: 25 °C (1) ACD
Koc 51.8 pH 3;Suhu: 25 °C (1) ACD
Koc 318 pH 4;Suhu: 25 °C (1) ACD
Koc 966 pH 5;Suhu: 25 °C (1) ACD
Koc 1220 pH 6;Suhu: 25 °C (1) ACD
Koc 1260 pH 7;Suhu: 25 °C (1) ACD

 

Properti Nilai kahanan Sumber
Koc 1260 pH 8;Suhu: 25 °C (1) ACD
Koc 1260 pH 9;Suhu: 25 °C (1) ACD
Koc 1260 pH 10;Suhu: 25 °C (1) ACD
logD 1.18 pH 1;Suhu: 25 °C (1) ACD
logD 1.29 pH 2;Suhu: 25 °C (1) ACD
logD 1.78 pH 3;Suhu: 25 °C (1) ACD
logD 2.57 pH 4;Suhu: 25 °C (1) ACD
logD 3.05 pH 5;Suhu: 25 °C (1) ACD
logD 3.16 pH 6;Suhu: 25 °C (1) ACD
logD 3.17 pH 7;Suhu: 25 °C (1) ACD
logD 3.17 pH 8;Suhu: 25 °C (1) ACD
logD 3.17 pH 9;Suhu: 25 °C (1) ACD
logD 3.17 pH 10;Suhu: 25 °C (1) ACD
logP 3.169±0.598 Suhu: 25 °C (1) ACD
Kelarutan Intrinsik Massa 5,2 x 10-3 g/L Suhu: 25 °C (1) ACD
Kelarutan massa 0,51 g/L pH 1;Suhu: 25 °C (1) ACD
Kelarutan massa 0,40 g/L pH 2;Suhu: 25 °C (1) ACD
Kelarutan massa 0,13 g/L pH 3;Suhu: 25 °C (1) ACD
Kelarutan massa 0,020 g/L pH 4;Suhu: 25 °C (1) ACD
Kelarutan massa 6,8 x 10-3 g/L pH 5;Suhu: 25 °C (1) ACD
Kelarutan massa 5,4 x 10-3 g/L pH 6;Suhu: 25 °C (1) ACD
Kelarutan massa 5,3 x 10-3 g/L pH 7;Suhu: 25 °C (1) ACD
Kelarutan massa 5,2 x 10-3 g/L pH 8;Suhu: 25 °C (1) ACD
Kelarutan massa 5,2 x 10-3 g/L pH 9;Suhu: 25 °C (1) ACD
Kelarutan massa 5,2 x 10-3 g/L pH 10;Suhu: 25 °C (1) ACD
Kelarutan massa 5,3 x 10-3 g/L Banyu Unbuffered pH 7,05;Suhu: 25 °C (1) ACD
Kelarutan Intrinsik Molar 8,4 x 10-6 mol/L Suhu: 25 °C (1) ACD
Kelarutan molar 8,2 x 10-4 mol/L pH 1;Suhu: 25 °C (1) ACD
Kelarutan molar 6,4 x 10-4 mol/L pH 2;Suhu: 25 °C (1) ACD
Kelarutan molar 2,1 x 10-4 mol / L pH 3;Suhu: 25 °C (1) ACD
Kelarutan molar 3,3 x 10-5 mol/L pH 4;Suhu: 25 °C (1) ACD
Kelarutan molar 1,1 x 10-5 mol/L pH 5;Suhu: 25 °C (1) ACD

 

Properti Nilai kahanan Sumber
Kelarutan molar 8,7 x 10-6 mol/L pH 6;Suhu: 25 °C (1) ACD
Kelarutan molar 8,5 x 10-6 mol/L pH 7;Suhu: 25 °C (1) ACD
Kelarutan molar 8,4 x 10-6 mol/L pH 8;Suhu: 25 °C (1) ACD
Kelarutan molar 8,4 x 10-6 mol/L pH 9;Suhu: 25 °C (1) ACD
Kelarutan molar 8,4 x 10-6 mol/L pH 10;Suhu: 25 °C (1) ACD
Kelarutan molar 8,5 x 10-6 mol/L Banyu Unbuffered pH 7,05;Suhu: 25 °C (1) ACD
Bobot Molekul 617.69    
pKa 13.31±0.70 Suhu Paling Asam: 25 °C (1) ACD
pKa 4.58±0.10 Suhu Paling Dasar: 25 °C (1) ACD
Tekanan uap 1,89 x 10-24 Torr Suhu: 25 °C (1) ACD

(1) Dietung nggunakake Piranti Lunak Pengembangan Kimia Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)

Kapadhetan

Properti Nilai kahanan Sumber
Kapadhetan 1,27±0,1 g/cm3 Suhu: 20 °C;Pencet: 760 Torr (1) ACD
Volume Molar 483,8±7,0 cm3/mol Suhu: 20 °C;Pencet: 760 Torr (1) ACD

(1) Dietung nggunakake Piranti Lunak Pengembangan Kimia Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)

Lipinski

Properti Nilai kahanan Sumber
Obligasi sing bisa diputer kanthi bebas 14   (1) ACD
H. Akseptor 11   (1) ACD
H. Donor 3   (1) ACD
H Jumlah Donor / Akseptor 14   (1) ACD
logP 3.169±0.598 Suhu: 25 °C (1) ACD
Bobot Molekul 617.69    

(1) Dietung nggunakake Piranti Lunak Pengembangan Kimia Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)

Struktur Gegandhengan

Properti Nilai

kahanan

Sumber
Area lumahing kutub 134 A2 (1) ACD

(1) Dietung nggunakake Piranti Lunak Pengembangan Kimia Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)

Thermal

Properti Nilai kahanan Sumber
Titik didih 762,6±70,0 °C Pencet: 760 Torr (1) ACD
Entalpi Penguapan 116,53±3,0 kJ/mol Pencet: 760 Torr (1) ACD
Titik Flash 415,0±35,7 °C   (1) ACD

(1) Dietung nggunakake Piranti Lunak Pengembangan Kimia Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)

Spektrum sing diprediksi

Spectra kasedhiya
1H NMR
13C NMR


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