C39H46FN4O8P Uridine, 5′-O- [bis (4-methoxyphenyl) phenylmethyl] -2′-deoxy-2′ – fluoro-, 3′ – [2-cyanoethyl N, N-bis (1-methylethyl) phosphoramidite] (ACI) )

ngwaahịa

C39H46FN4O8P Uridine, 5′-O- [bis (4-methoxyphenyl) phenylmethyl] -2′-deoxy-2′ – fluoro-, 3′ – [2-cyanoethyl N, N-bis (1-methylethyl) phosphoramidite] (ACI) )

Ozi bụ isi:


Nkọwa ngwaahịa

Mkpado ngwaahịa

Nkọwa ihe

Nọmba ndekọ CAS

146954-75-8

Njirimara anụ ahụ igodo Uru Ọnọdụ
Ibu molekụla 748.78 -
pKa (buru amụma) 9.39±0.10 Okpomọkụ kachasị acidic: 25 Celsius

Aha ndị ọzọ na njirimara

Ọchịchị Canonical

N#CCCOP(OC1C(F)C(OC1COC(C=2C=CC=CC2)(C3=CC=C(OC)C=C3)C4=CC=C(OC)C=C4)N5C=CC(= O)NC5=O)N(C(C)C)C(C)C

Isomeric SMILES

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

InChi

InChi= 1S/C39H46FN4O8P/c1-26(2)44(27(3)4)53(50-24-10-22-41)52-36-33(51-37(35(36)40)43- 23-21-34 (45)42-38(43)46)25-49-39(28-11 -8-7-9-12-28,29-13-17-31(47-5)18- 14-29)30-15-19-32(48-6)20-16-30/h7-9,11-21,23,26-27,33,35-37H,10,24-25H2,1- 6H3,(H,42,45,46)/t3 3-,35-,36-,37-,53?/m1/s1

Igodo InChi

HQHQPAYRJJMYQX-DJTPZYMWSA-N

1 Aha ọzọ maka ihe a

Uridine, 5 '-O- [bis (4-methoxyphenyl) phenylmethyl] -2 '-deoxy-2' -fluoro-, 3' - [2-cyanoethyl bis (1-methylethyl) phosphoramite] (9CI)

Ngwongwo dị
Usoro ndu
Chemical
Lipinski
Ọdịdị metụtara

Usoro ndu

Ngwongwo Uru Ọnọdụ Isi mmalite
Ihe kpatara bioconcentration 457 pH 1; Okpomọkụ: 25 Celsius C (1) ACD
Ihe kpatara bioconcentration 3690 pH 2; Okpomọkụ: 25 Celsius C (1) ACD
Ihe kpatara bioconcentration 27700 pH 3; Okpomọkụ: 25 Celsius C (1) ACD
Ihe kpatara bioconcentration 82900 pH 4; Okpomọkụ: 25 Celsius C (1) ACD
Ihe kpatara bioconcentration 1.04 x 105 pH 5; Okpomọkụ: 25 Celsius C (1) ACD
Ihe kpatara bioconcentration 1.06 x 105 pH 6; Okpomọkụ: 25 Celsius C (1) ACD
Ihe kpatara bioconcentration 1.06 x 105 pH 7; Okpomọkụ: 25 Celsius C (1) ACD
Ihe kpatara bioconcentration 1.02 x 105 pH 8; Okpomọkụ: 25 Celsius C (1) ACD
Ihe kpatara bioconcentration 76200 pH 9; Okpomọkụ: 25 Celsius C (1) ACD
Ihe kpatara bioconcentration 22000 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

Isi mmalite Ọnọdụ Uru Ala
Koc 592 pH 1; Okpomọkụ: 25 Celsius C (1) ACD
Koc 4790 pH 2; Okpomọkụ: 25 Celsius C (1) ACD
Koc 36000 pH 3; Okpomọkụ: 25 Celsius C (1) ACD
Koc 1.07 x 105 pH 4; Okpomọkụ: 25 Celsius C (1) ACD
Koc 1.34 x 105 pH 5; Okpomọkụ: 25 Celsius C (1) ACD
Koc 1.38 x 105 pH 6; Okpomọkụ: 25 Celsius C (1) ACD
Koc 1.37 x 105 pH 7; Okpomọkụ: 25 Celsius C (1) ACD
Koc 1.33 x 105 pH 8; Okpomọkụ: 25 Celsius C (1) ACD
Koc 98800 pH 9; Okpomọkụ: 25 Celsius C (1) ACD
Koc 28600 pH 10; Okpomọkụ: 25 Celsius C (1) ACD
logD 4.55 pH 1; Okpomọkụ: 25 Celsius C (1) ACD
logD 5.46 pH 2; Okpomọkụ: 25 Celsius C (1) ACD
logD 6.33 pH 3; Okpomọkụ: 25 Celsius C (1) ACD

 

Ngwongwo Uru Ọnọdụ Isi mmalite
logD 6.81 pH 4; Okpomọkụ: 25 Celsius C (1) ACD
logD 6.91 pH 5; Okpomọkụ: 25 Celsius C (1) ACD
logD 6.92 pH 6; Okpomọkụ: 25 Celsius C (1) ACD
logD 6.92 pH 7; Okpomọkụ: 25 Celsius C (1) ACD
logD 6.90 pH 8; Okpomọkụ: 25 Celsius C (1) ACD
logD 6.77 pH 9; Okpomọkụ: 25 Celsius C (1) ACD
logD 6.23 pH 10; Okpomọkụ: 25 Celsius C (1) ACD
logP 6.918± 0.641 Okpomọkụ: 25 Celsius C (1) ACD
Ọkachamara Solubility dị n'ime 2.2 x 10-5 g/L Okpomọkụ: 25 Celsius C (1) ACD
Uka Solubility 5.1 x 10-3 g/L pH 1; Okpomọkụ: 25 Celsius C (1) ACD
Uka Solubility 6.3 x 10-4 g/L pH 2; Okpomọkụ: 25 Celsius C (1) ACD
Uka Solubility 8.2 x 10-5 g/L pH 3; Okpomọkụ: 25 Celsius C (1) ACD
Uka Solubility 2.8 x 10-5 g/L pH 4; Okpomọkụ: 25 Celsius C (1) ACD
Uka Solubility 2.2 x 10-5 g/L pH 5; Okpomọkụ: 25 Celsius C (1) ACD
Uka Solubility 2.2 x 10-5 g/L pH 6; Okpomọkụ: 25 Celsius C (1) ACD
Uka Solubility 2.2 x 10-5 g/L pH 7; Okpomọkụ: 25 Celsius C (1) ACD
Uka Solubility 2.2 x 10-5 g/L pH 8; Okpomọkụ: 25 Celsius C (1) ACD
Uka Solubility 3.0 x 10-5 g/L pH 9; Okpomọkụ: 25 Celsius C (1) ACD
Uka Solubility 1.0 x 10-4 g/L pH 10; Okpomọkụ: 25 Celsius C (1) ACD
Uka Solubility 2.2 x 10-5 g/L Mmiri na-enweghị atụ pH 7.00; Okpomọkụ: 25 Celsius C (1) ACD
Solubility dị n'ime Molar 2.9 x 10-8 mol/L Okpomọkụ: 25 Celsius C (1) ACD
Solubility Molar 6.8 x 10-6 mol/L pH 1; Okpomọkụ: 25 Celsius C (1) ACD
Solubility Molar 8.4 x 10-7 mol/L pH 2; Okpomọkụ: 25 Celsius C (1) ACD
Solubility Molar 1.1 x 10-7 mol / l pH 3; Okpomọkụ: 25 Celsius C (1) ACD
Solubility Molar 3.7 x 10-8 mol/L pH 4; Okpomọkụ: 25 Celsius C (1) ACD
Solubility Molar 3.0 x 10-8 mol / l pH 5; Okpomọkụ: 25 Celsius C (1) ACD
Solubility Molar 2.9 x 10-8 mol/L pH 6; Okpomọkụ: 25 Celsius C (1) ACD
Solubility Molar 2.9 x 10-8 mol/L pH 7; Okpomọkụ: 25 Celsius C (1) ACD
Solubility Molar 3.0 x 10-8 mol / l pH 8; Okpomọkụ: 25 Celsius C (1) ACD
Solubility Molar 4.0 x 10-8 mol/L pH 9; Okpomọkụ: 25 Celsius C (1) ACD
Solubility Molar 1.4 x 10-7 mol / l pH 10; Okpomọkụ: 25 Celsius C (1) ACD
Solubility Molar 2.9 x 10-8 mol/L Mmiri na-enweghị atụ pH 7.00; Okpomọkụ: 25 Celsius C (1) ACD

 

Ngwongwo Uru Ọnọdụ Isi mmalite
Ibu molekụla 748.78    
pKa 9.39±0.10 Okpomọkụ kachasị acidic: 25 Celsius (1) ACD
pKa 3.45± 0.70 Okpomọkụ kachasị mma: 25 Celsius (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 17   (1) ACD
H Ndị nnabata 12   (1) ACD
H Ndị na-enye onyinye 1   (1) ACD
H Donor/Anabata Nchikota 13   (1) ACD
logP 6.918± 0.641 Okpomọkụ: 25 Celsius C (1) ACD
Ibu molekụla 748.78    

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

Ọdịdị metụtara

Ngwongwo Uru Isi mmalite ọnọdụ
Mpaghara elu elu 145 A2 (1) ACD

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


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