C50H60N5O10P Cytidine, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O- (2-methoxyethyl)- 5-methyl-, 3′ – [2-cyanoethyl N,N-bis (1-methylethyl) phosphoramidite] (ACI)

hua

C50H60N5O10P Cytidine, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O- (2-methoxyethyl)- 5-methyl-, 3′ – [2-cyanoethyl N,N-bis (1-methylethyl) phosphoramidite] (ACI)

Mōhiohio Taketake:


Taipitopito Hua

Tohu Hua

Taipitopito Matū

Tau Rehita CAS

163759-94-2

Nga Ahuatanga Tinana Matua Uara Tikanga
Taumaha Molecular 922.01 -
pKa (I Matapaetia) 8.59±0.40 Te Mahana Waiwawa Nui: 25 °C

Ētahi atu Ingoa me nga Kaitohu

NGĀ ATA KANONA

N#CCCOP(OC1C(OC(N2C=C(C(= NC2=O))NC(=O)C=3C=CC=CC3)C)C1OCCOC)COC(C=4C=CC=CC4)(C5=CC =C(OC)C=C5)C6=CC=C(OC)C=C 6)N(C(C)C)C(C)C

NGĀ ATA ISOMERIKA

C(OC[C@@H]1[C@@H](OP(N(C(C)C)C(C)C)OCCC#N)[C@@H](OCCOC)[C@@ H](O1)N2C(=O)N=C(NC(=O)C3=CC=CC=C3)C(C)=C2)(C4=CC =C(OC)C=C4)(C5= CC=C(OC)C=C5)C6=CC=CC=C6

InChI

InChI= 1S/C50H60N5O10P/c1-34(2)55(35(3)4)66(63-29-15-28-51)65-44-43(33-62-50(38-18-13- 10-14-19-38,39-20-24-41(59-7)25-21-39 )40-22-26-42(60-8)27-23-40)64-48(45( 44)61-31-30-58-6)54-32-36(5)46(53-49(54)57)52-47(56)37-16-11-9-12-17-37/ h9-14,16-27,32,34- 35,43-45,48H,15,29-31,33H2,1-8H3,(H,52,53,56,57)/t43-,44-, 45-,48-,66?/m1/s1

Kī InChI

FLIGVMLIIDVDSN-GICDFOIUSA-N

26 Ētahi atu Ingoa mō tēnei Matū

Cytidine,N-benzoyl-5′-O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-(2-methoxyethyl)- 5-methyl-, 3′ - [2-cyanoethyl bis(1-methylethyl) phosphoramidi] (9CI);12: PN: WO03084478 PAGE: 57 i kii te DNA;14: PN: US20030170636 PAGE: 17 i kii te DNA;15: PN: U

S20030211606 PAGE: 19 i kii te DNA;15: PN: US20030212017 PAGE: 19 i kii te DNA;16: PN: US20040005569 PAGE: 22 i kii te DNA;17: PN: US20040006030 PAGE: 23 i kii te DNA;17: PN: US20040014049 PAGE: 20 i kii te DNA;18: PN: US20040014047 PAG E: 20 i kii te DNA;18: PN: US20040014048 PAGE: 20 i kii te DNA;18: PN: US20040014050 PAGE: 20 i kii te DNA;19: PN: U

S20030171313 PAGE: 9 i kii te DNA;19: PN: US20030198965 PAGE: 20 i kii te DNA;19: PN: US20040005565 PAGE: 17- 22 i kii te DNA;19: PN: US20040005570 PAGE: 20 i kii te DNA;19: PN: US20040014051 PAGE: 22 i kii te DNA;20: PN: US20040014699 PAG

E: 20 i kii te DNA;21: PN: US20040006029 PAGE: 23 i kii te DNA;21: PN: WO03106645 PAGE: 72 i kii te DNA;61: PN: US20030

166592 PAGE: 15 i kii te DNA;7: PN: WO2005006958 PAGE: 62 i kii te DNA;84: PN: US20040171566 PAGE: 18 i kii te DNA;92:

PN: US20040005707 PAGE: 20 i kii te DNA;9: PN: WO2005007825 PAGE: 62 i kii te DNA;N4-benzoyl-2′ -O-methoxyethyl-5-O- dimethoxytriyl-5-methylcytidine-3′ -phosphoramidite;N4-benzoyl-2′ -O-methoxyethyl-5′ -O-dimethoxytriyl-5-methylcytidine-3′ - amidite

Spectra Whakamatau

Kei te waatea te Spectra
13 C NMR
Hetero NMR

Nga Taonga Matapae

Nga rawa e waatea ana
Koiora
Te matū
Lipinski
Hanganga e Pa ana

Koiora

Taonga Uara Tikanga Puna
Tauwehe Bioconcentration 171 pH 1;Te Mahana: 25 °C (1) ACD
Tauwehe Bioconcentration 1250 pH 2;Te Mahana: 25 °C (1) ACD
Tauwehe Bioconcentration 47600 pH 3;Te Mahana: 25 °C (1) ACD
Tauwehe Bioconcentration 6.44 x 105 pH 4;Te Mahana: 25 °C (1) ACD
Tauwehe Bioconcentration 1.00 x 106 pH 5;Te Mahana: 25 °C (1) ACD
Tauwehe Bioconcentration 1.00 x 106 pH 6;Te Mahana: 25 °C (1) ACD
Tauwehe Bioconcentration 1.00 x 106 pH 7;Te Mahana: 25 °C (1) ACD
Tauwehe Bioconcentration 7.79 x 105 pH 8;Te Mahana: 25 °C (1) ACD
Tauwehe Bioconcentration 1.63 x 105 pH 9;Te Mahana: 25 °C (1) ACD
Tauwehe Bioconcentration 30800 pH 10;Te Mahana: 25 °C (1) ACD

(1) I tatauhia ma te whakamahi i te Whanaketanga Matū Ake (ACD/Labs) Pūmanawa V11.02 (© 1994-2023 ACD/Labs)

Te matū

Taonga Uara Tikanga Puna
Koc 106 pH 1;Te Mahana: 25 °C (1) ACD
Koc 773 pH 2;Te Mahana: 25 °C (1) ACD
Koc 29500 pH 3;Te Mahana: 25 °C (1) ACD

 

Taonga Uara Tikanga Puna
Koc 3.99 x 105 pH 4;Te Mahana: 25 °C (1) ACD
Koc 8.02 x 105 pH 5;Te Mahana: 25 °C (1) ACD
Koc 8.70 x 105 pH 6;Te Mahana: 25 °C (1) ACD
Koc 8.16 x 105 pH 7;Te Mahana: 25 °C (1) ACD
Koc 4.83 x 105 pH 8;Te Mahana: 25 °C (1) ACD
Koc 1.01 x 105 pH 9;Te Mahana: 25 °C (1) ACD
Koc 19100 pH 10;Te Mahana: 25 °C (1) ACD
rangitakiD 4.48 pH 1;Te Mahana: 25 °C (1) ACD
rangitakiD 5.34 pH 2;Te Mahana: 25 °C (1) ACD
rangitakiD 6.92 pH 3;Te Mahana: 25 °C (1) ACD
rangitakiD 8.06 pH 4;Te Mahana: 25 °C (1) ACD
rangitakiD 8.36 pH 5;Te Mahana: 25 °C (1) ACD
rangitakiD 8.39 pH 6;Te Mahana: 25 °C (1) ACD
rangitakiD 8.37 pH 7;Te Mahana: 25 °C (1) ACD
rangitakiD 8.14 pH 8;Te Mahana: 25 °C (1) ACD
rangitakiD 7.46 pH 9;Te Mahana: 25 °C (1) ACD
rangitakiD 6.73 pH 10;Te Mahana: 25 °C (1) ACD
rangitakiP 8.401±0.723 Te Mahana: 25 °C (1) ACD
Te Wairewa o roto 1.4 x 10-4 g/L Te Mahana: 25 °C (1) ACD
Wairewa Papatipu 1.1 g/L pH 1;Te Mahana: 25 °C (1) ACD
Wairewa Papatipu 0.16 g/L pH 2;Te Mahana: 25 °C (1) ACD
Wairewa Papatipu 4.1 x 10-3 g/L pH 3;Te Mahana: 25 °C (1) ACD
Wairewa Papatipu 3.0 x 10-4 g/L pH 4;Te Mahana: 25 °C (1) ACD
Wairewa Papatipu 1.5 x 10-4 g/L pH 5;Te Mahana: 25 °C (1) ACD
Wairewa Papatipu 1.4 x 10-4 g/L pH 6;Te Mahana: 25 °C (1) ACD
Wairewa Papatipu 1.5 x 10-4 g/L pH 7;Te Mahana: 25 °C (1) ACD
Wairewa Papatipu 2.5 x 10-4 g/L pH 8;Te Mahana: 25 °C (1) ACD
Wairewa Papatipu 1.2 x 10-3 g/L pH 9;Te Mahana: 25 °C (1) ACD
Wairewa Papatipu 6.3 x 10-3 g/L pH 10;Te Mahana: 25 °C (1) ACD
Wairewa Papatipu 1.5 x 10-4 g/L Te Wai Kore Kore Te pH 6.97;Te Mahana: 25 °C (1) ACD
Molar Intrinsic Solubility 1.5 x 10-7 mol/L Te Mahana: 25 °C (1) ACD
Molar Solubility 1.2 x 10-3 mol/L pH 1;Te Mahana: 25 °C (1) ACD

 

Taonga Uara Tikanga Puna
Molar Solubility 1.7 x 10-4 mol/L pH 2;Te Mahana: 25 °C (1) ACD
Molar Solubility 4.4 x 10-6 mol/L pH 3;Te Mahana: 25 °C (1) ACD
Molar Solubility 3.2 x 10-7 mol/L pH 4;Te Mahana: 25 °C (1) ACD
Molar Solubility 1.6 x 10-7 mol/L pH 5;Te Mahana: 25 °C (1) ACD
Molar Solubility 1.5 x 10-7 mol/L pH 6;Te Mahana: 25 °C (1) ACD
Molar Solubility 1.6 x 10-7 mol/L pH 7;Te Mahana: 25 °C (1) ACD
Molar Solubility 2.7 x 10-7 mol/L pH 8;Te Mahana: 25 °C (1) ACD
Molar Solubility 1.3 x 10-6 mol/L pH 9;Te Mahana: 25 °C (1) ACD
Molar Solubility 6.8 x 10-6 mol/L pH 10;Te Mahana: 25 °C (1) ACD
Molar Solubility 1.6 x 10-7 mol/L Te Wai Kore Kore Te pH 6.97;Te Mahana: 25 °C (1) ACD
Taumaha Molecular 922.01    
pKa 8.59±0.40 Te Mahana Waiwawa Nui: 25 °C (1) ACD
pKa 3.87±0.20 Te Mahana Matua: 25 °C (1) ACD

(1) I tatauhia ma te whakamahi i te Whanaketanga Matū Ake (ACD/Labs) Pūmanawa V11.02 (© 1994-2023 ACD/Labs)

Lipinski

Taonga Uara Tikanga Puna
Nga here e taea te huri noa 22 (1) ACD
H Nga Kaiwhiwhi 15 (1) ACD
H Nga Kaituku 1 (1) ACD
H Tapeke Kaituku/Kaiwhiwhi 16 (1) ACD
rangitakiP 8.401±0.723 Te Mahana: 25 °C (1) ACD
Taumaha Molecular 922.01

(1) I tatauhia ma te whakamahi i te Whanaketanga Matū Ake (ACD/Labs) Pūmanawa V11.02 (© 1994-2023 ACD/Labs)

Hanganga e Pa ana

Taonga Uara Puna Tikanga
Rohe Mata Polar 176 A2 (1) ACD

(1) I tatauhia ma te whakamahi i te Whanaketanga Matū Ake (ACD/Labs) Pūmanawa V11.02 (© 1994-2023 ACD/Labs)

Tohua Matapae

Kei te waatea te Spectra
1 H NMR
13 C NMR


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