C34H39N3O8 Cytidine, 5'-O-[bis (4-methoxyphenyl) phenylmethyl] -2'-O- (2-methox ethyl) -5-methyl- (9CI, ACI)

ngwaahịa

C34H39N3O8 Cytidine, 5'-O-[bis (4-methoxyphenyl) phenylmethyl] -2'-O- (2-methox ethyl) -5-methyl- (9CI, ACI)

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Mkpado ngwaahịa

Njirimara anụ ahụ

Njirimara anụ ahụ igodo Uru Ọnọdụ
Ibu molekụla 617.69 -
Ebe a na-esi esi esi (buru amụma) 762.6±70.0 Celsius Pịa: 760 Torr
Njupụta (buru amụma) 1.27±0.1 g/cm3 Okpomọkụ: 20 °C;Pịa: 760 Torr
pKa (buru amụma) 13.31± 0.70 Okpomọkụ kachasị acidic: 25 Celsius

Aha ndị ọzọ na njirimara

Canonical SILES 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
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
InChi
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
InChi Igodo
LYKTVJJXZQTNPK-PBAMLIMUSA-N
24 Aha ndị ọzọ maka ihe a
5'-O-[Bis (4-methoxyphenyl) phenylmethyl] -2'-O- (2-methoxyethyl) -5-methylcytidine (ACI);11: PN: US20030170636 PEEJI: 17 kwuru RNA;12: PN: US20030211606 PEEJI: 18 kwuru R NA;12: PN: US20030212017 PEEJI: 19 kwuru R NA;14: PN: US20040005569 PAG E: 21 kwuru R NA;15: PN: US20040005565 PEEJI: 17- 22 kwuru RNA;15: PN: US20040005570 PEEJI: 19 kwuru R NA;15: PN: U S20040006030 PEEJI: 22 kwuru R NA;15: PN: US20040014048 PEEJI: 19 kwuru R NA;16: PN: US20030171313 PEEJI: 9 kwuru RNA;16: PN: US20030198965 PEEJI: 19 kwuru R NA;16: PN: US20040014047 PEEJI: 19 kwuru R NA;16: PN: US20040014049 ibe:

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

Njirimara amụma

Ngwongwo dị
Usoro ndu
Chemical
Njupụta
Lipinski
Ọdịdị metụtara
Thermal

Usoro ndu

Ngwongwo Uru Ọnọdụ Isi mmalite
Ihe kpatara bioconcentration 1.56 pH 1;Okpomọkụ: 25 Celsius C (1) ACD
Ihe kpatara bioconcentration 1.99 pH 2;Okpomọkụ: 25 Celsius C (1) ACD
Ihe kpatara bioconcentration 6.19 pH 3;Okpomọkụ: 25 Celsius C (1) ACD
Ihe kpatara bioconcentration 38.0 pH 4;Okpomọkụ: 25 Celsius C (1) ACD
Ihe kpatara bioconcentration 116 pH 5;Okpomọkụ: 25 Celsius C (1) ACD
Ihe kpatara bioconcentration 146 pH 6;Okpomọkụ: 25 Celsius C (1) ACD
Ihe kpatara bioconcentration 150 pH 7;Okpomọkụ: 25 Celsius C (1) ACD
Ihe kpatara bioconcentration 151 pH 8;Okpomọkụ: 25 Celsius C (1) ACD
Ihe kpatara bioconcentration 151 pH 9;Okpomọkụ: 25 Celsius C (1) ACD
Ihe kpatara bioconcentration 151 pH 10;Okpomọkụ: 25 Celsius C (1) ACD

(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Chemical

Ngwongwo Uru Ọnọdụ Isi mmalite
Koc 13.0 pH 1;Okpomọkụ: 25 Celsius C (1) ACD
Koc 16.6 pH 2;Okpomọkụ: 25 Celsius C (1) ACD
Koc 51.8 pH 3;Okpomọkụ: 25 Celsius C (1) ACD
Koc 318 pH 4;Okpomọkụ: 25 Celsius C (1) ACD
Koc 966 pH 5;Okpomọkụ: 25 Celsius C (1) ACD
Koc 1220 pH 6;Okpomọkụ: 25 Celsius C (1) ACD
Koc 1260 pH 7;Okpomọkụ: 25 Celsius C (1) ACD

 

Ngwongwo Uru Ọnọdụ Isi mmalite
Koc 1260 pH 8;Okpomọkụ: 25 Celsius C (1) ACD
Koc 1260 pH 9;Okpomọkụ: 25 Celsius C (1) ACD
Koc 1260 pH 10;Okpomọkụ: 25 Celsius C (1) ACD
logD 1.18 pH 1;Okpomọkụ: 25 Celsius C (1) ACD
logD 1.29 pH 2;Okpomọkụ: 25 Celsius C (1) ACD
logD 1.78 pH 3;Okpomọkụ: 25 Celsius C (1) ACD
logD 2.57 pH 4;Okpomọkụ: 25 Celsius C (1) ACD
logD 3.05 pH 5;Okpomọkụ: 25 Celsius C (1) ACD
logD 3.16 pH 6;Okpomọkụ: 25 Celsius C (1) ACD
logD 3.17 pH 7;Okpomọkụ: 25 Celsius C (1) ACD
logD 3.17 pH 8;Okpomọkụ: 25 Celsius C (1) ACD
logD 3.17 pH 9;Okpomọkụ: 25 Celsius C (1) ACD
logD 3.17 pH 10;Okpomọkụ: 25 Celsius C (1) ACD
logP 3.169± 0.598 Okpomọkụ: 25 Celsius C (1) ACD
Ọkachamara Solubility dị n'ime 5.2 x 10-3 g/L Okpomọkụ: 25 Celsius C (1) ACD
Uka Solubility 0.51 g/L pH 1;Okpomọkụ: 25 Celsius C (1) ACD
Uka Solubility 0.40 g/L pH 2;Okpomọkụ: 25 Celsius C (1) ACD
Uka Solubility 0.13 g/L pH 3;Okpomọkụ: 25 Celsius C (1) ACD
Uka Solubility 0.020 g/L pH 4;Okpomọkụ: 25 Celsius C (1) ACD
Uka Solubility 6.8 x 10-3 g/L pH 5;Okpomọkụ: 25 Celsius C (1) ACD
Uka Solubility 5.4 x 10-3 g/L pH 6;Okpomọkụ: 25 Celsius C (1) ACD
Uka Solubility 5.3 x 10-3 g/L pH 7;Okpomọkụ: 25 Celsius C (1) ACD
Uka Solubility 5.2 x 10-3 g/L pH 8;Okpomọkụ: 25 Celsius C (1) ACD
Uka Solubility 5.2 x 10-3 g/L pH 9;Okpomọkụ: 25 Celsius C (1) ACD
Uka Solubility 5.2 x 10-3 g/L pH 10;Okpomọkụ: 25 Celsius C (1) ACD
Uka Solubility 5.3 x 10-3 g/L Mmiri na-enweghị atụ pH 7.05;Okpomọkụ: 25 Celsius C (1) ACD
Solubility dị n'ime Molar 8.4 x 10-6 mol/L Okpomọkụ: 25 Celsius C (1) ACD
Solubility Molar 8.2 x 10-4 mol/L pH 1;Okpomọkụ: 25 Celsius C (1) ACD
Solubility Molar 6.4 x 10-4 mol / l pH 2;Okpomọkụ: 25 Celsius C (1) ACD
Solubility Molar 2.1 x 10-4 mol / l pH 3;Okpomọkụ: 25 Celsius C (1) ACD
Solubility Molar 3.3 x 10-5 mol / l pH 4;Okpomọkụ: 25 Celsius C (1) ACD
Solubility Molar 1.1 x 10-5 mol / l pH 5;Okpomọkụ: 25 Celsius C (1) ACD

 

Ngwongwo Uru Ọnọdụ Isi mmalite
Solubility Molar 8.7 x 10-6 mol/L pH 6;Okpomọkụ: 25 Celsius C (1) ACD
Solubility Molar 8.5 x 10-6 mol/L pH 7;Okpomọkụ: 25 Celsius C (1) ACD
Solubility Molar 8.4 x 10-6 mol/L pH 8;Okpomọkụ: 25 Celsius C (1) ACD
Solubility Molar 8.4 x 10-6 mol/L pH 9;Okpomọkụ: 25 Celsius C (1) ACD
Solubility Molar 8.4 x 10-6 mol/L pH 10;Okpomọkụ: 25 Celsius C (1) ACD
Solubility Molar 8.5 x 10-6 mol/L Mmiri na-enweghị atụ pH 7.05;Okpomọkụ: 25 Celsius C (1) ACD
Ibu molekụla 617.69    
pKa 13.31± 0.70 Okpomọkụ kachasị acidic: 25 Celsius (1) ACD
pKa 4.58± 0.10 Okpomọkụ kachasị mma: 25 Celsius (1) ACD
Uzuoku Nrụgide 1.89 x 10-24 Torr Okpomọkụ: 25 Celsius C (1) ACD

(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Njupụta

Ngwongwo Uru Ọnọdụ Isi mmalite
Njupụta 1.27±0.1 g/cm3 Okpomọkụ: 20 °C;Pịa: 760 Torr (1) ACD
Olu Molar 483.8± 7.0 cm3 / mol Okpomọkụ: 20 °C;Pịa: 760 Torr (1) ACD

(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Lipinski

Ngwongwo Uru Ọnọdụ Isi mmalite
Nkwekọrịta na-agbanwe agbanwe n'efu 14   (1) ACD
H Ndị nnabata 11   (1) ACD
H Ndị na-enye onyinye 3   (1) ACD
H Donor/Anabata Nchikota 14   (1) ACD
logP 3.169± 0.598 Okpomọkụ: 25 Celsius C (1) ACD
Ibu molekụla 617.69    

(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Ọdịdị metụtara

Ngwongwo Uru

Ọnọdụ

Isi mmalite
Mpaghara elu elu 134 A2 (1) ACD

(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Thermal

Ngwongwo Uru Ọnọdụ Isi mmalite
Ebe esi nri 762.6±70.0 Celsius Pịa: 760 Torr (1) ACD
Enthalpy nke Vaporization 116.53± 3.0 kJ/mol Pịa: 760 Torr (1) ACD
Ebe mgbari 415.0± 35.7 Celsius C   (1) ACD

(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Spectra buru amụma

Spectra dị
1H NMR
13C NMR


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