C40H49N4O9P Uridine, 5′-O- [bis (4-methoxyphenyl) phenylmethyl] -2′ -O-methyl-, 3′ – [2-cyanoethyl N, N-bis (1-methylethyl) phosphoramidite] (ACI)

ngwaahịa

C40H49N4O9P Uridine, 5′-O- [bis (4-methoxyphenyl) phenylmethyl] -2′ -O-methyl-, 3′ – [2-cyanoethyl N, N-bis (1-methylethyl) phosphoramidite] (ACI)

Ozi bụ isi:


Nkọwa ngwaahịa

Mkpado ngwaahịa

Nkọwa ihe

Nọmba ndekọ CAS

110764-79-9

H335, H331, H319, H315, H311, H301+H311+H331, H301

Njirimara anụ ahụ igodo Uru   Ọnọdụ
Ibu molekụla 760.81   -
pKa (buru amụma) 9.39±0.10   Okpomọkụ kachasị acidic: 25 Celsius

Aha ndị ọzọ na njirimara

Ọchịchị Canonical

N#CCCOP(OC1C(OC(N2C=CC(=O))NC2=O)C1OC)COC(C=3C=CC=CC3)(C4=CC=C(OC)C=C4)C5=CC=C( OC)C=C5)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](OC) 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/C40H49N4O9P/c1-27(2)44(28(3)4)54(51-25-11-23-41)53-36-34(52-38(37(36)49-7) 43-24-22-35(45)42-39(43)46)26-50-40(29-1 2-9-8-10-13-29,30-14-18-32(47-5) )19-15-30)31-16-20-33(48-6)21-17-31/h8-10,12-22,24,27-28,34,36-38H,11,25-26H2 ,1-7H3,

(H,42,45,46)/t34-,36-,37-,38-,54?/m1/s1

InChi Igodo

UVUOJOLPNDCIHL-XKZJCBTISA-N

1 Aha ọzọ maka ihe a

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

Spectra dị

Mass

Njirimara amụma

Ngwongwo dị
Usoro ndu
Chemical
Lipinski
Ọdịdị metụtara

Usoro ndu

Ngwongwo Uru Ọnọdụ Isi mmalite
Ihe kpatara bioconcentration 254 pH 1;Okpomọkụ: 25 Celsius C (1) ACD
Ihe kpatara bioconcentration 2050 pH 2;Okpomọkụ: 25 Celsius C (1) ACD
Ihe kpatara bioconcentration 15400 pH 3;Okpomọkụ: 25 Celsius C (1) ACD
Ihe kpatara bioconcentration 46000 pH 4;Okpomọkụ: 25 Celsius C (1) ACD
Ihe kpatara bioconcentration 57500 pH 5;Okpomọkụ: 25 Celsius C (1) ACD
Ihe kpatara bioconcentration 58900 pH 6;Okpomọkụ: 25 Celsius C (1) ACD
Ihe kpatara bioconcentration 58900 pH 7;Okpomọkụ: 25 Celsius C (1) ACD
Ihe kpatara bioconcentration 56800 pH 8;Okpomọkụ: 25 Celsius C (1) ACD
Ihe kpatara bioconcentration 42300 pH 9;Okpomọkụ: 25 Celsius C (1) ACD
Ihe kpatara bioconcentration 12200 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 389 pH 1;Okpomọkụ: 25 Celsius C (1) ACD
Koc 3140 pH 2;Okpomọkụ: 25 Celsius C (1) ACD
Koc 23600 pH 3;Okpomọkụ: 25 Celsius C (1) ACD
Koc 70500 pH 4;Okpomọkụ: 25 Celsius C (1) ACD
Koc 88100 pH 5;Okpomọkụ: 25 Celsius C (1) ACD
Koc 90300 pH 6;Okpomọkụ: 25 Celsius C (1) ACD
Koc 90200 pH 7;Okpomọkụ: 25 Celsius C (1) ACD
Koc 87100 pH 8;Okpomọkụ: 25 Celsius C (1) ACD
Koc 64800 pH 9;Okpomọkụ: 25 Celsius C (1) ACD
Koc 18700 pH 10;Okpomọkụ: 25 Celsius C (1) ACD

 

Ngwongwo Uru Ọnọdụ Isi mmalite
logD 4.21 pH 1;Okpomọkụ: 25 Celsius C (1) ACD
logD 5.12 pH 2;Okpomọkụ: 25 Celsius C (1) ACD
logD 6.00 pH 3;Okpomọkụ: 25 Celsius C (1) ACD
logD 6.47 pH 4;Okpomọkụ: 25 Celsius C (1) ACD
logD 6.57 pH 5;Okpomọkụ: 25 Celsius C (1) ACD
logD 6.58 pH 6;Okpomọkụ: 25 Celsius C (1) ACD
logD 6.58 pH 7;Okpomọkụ: 25 Celsius C (1) ACD
logD 6.56 pH 8;Okpomọkụ: 25 Celsius C (1) ACD
logD 6.44 pH 9;Okpomọkụ: 25 Celsius C (1) ACD
logD 5.90 pH 10;Okpomọkụ: 25 Celsius C (1) ACD
logP 6.581±0.646 Okpomọkụ: 25 Celsius C (1) ACD
Ọkachamara Solubility dị n'ime 8.4 x 10-5 g/L Okpomọkụ: 25 Celsius C (1) ACD
Uka Solubility 0.019 g/L pH 1;Okpomọkụ: 25 Celsius C (1) ACD
Uka Solubility 2.4 x 10-3 g/L pH 2;Okpomọkụ: 25 Celsius C (1) ACD
Uka Solubility 3.1 x 10-4 g/L pH 3;Okpomọkụ: 25 Celsius C (1) ACD
Uka Solubility 1.1 x 10-4 g/L pH 4;Okpomọkụ: 25 Celsius C (1) ACD
Uka Solubility 8.4 x 10-5 g/L pH 5;Okpomọkụ: 25 Celsius C (1) ACD
Uka Solubility 8.4 x 10-5 g/L pH 6;Okpomọkụ: 25 Celsius C (1) ACD
Uka Solubility 8.4 x 10-5 g/L pH 7;Okpomọkụ: 25 Celsius C (1) ACD
Uka Solubility 8.4 x 10-5 g/L pH 8;Okpomọkụ: 25 Celsius C (1) ACD
Uka Solubility 1.1 x 10-4 g/L pH 9;Okpomọkụ: 25 Celsius C (1) ACD
Uka Solubility 4.0 x 10-4 g/L pH 10;Okpomọkụ: 25 Celsius C (1) ACD
Uka Solubility 8.4 x 10-5 g/L Mmiri na-enweghị atụ pH 7.00;Okpomọkụ: 25 Celsius C (1) ACD
Solubility dị n'ime Molar 1.1 x 10-7 mol / l Okpomọkụ: 25 Celsius C (1) ACD
Solubility Molar 2.5 x 10-5 mol / l pH 1;Okpomọkụ: 25 Celsius C (1) ACD
Solubility Molar 3.1 x 10-6 mol/L pH 2;Okpomọkụ: 25 Celsius C (1) ACD
Solubility Molar 4.1 x 10-7 mol/L pH 3;Okpomọkụ: 25 Celsius C (1) ACD
Solubility Molar 1.4 x 10-7 mol / l pH 4;Okpomọkụ: 25 Celsius C (1) ACD
Solubility Molar 1.1 x 10-7 mol / l pH 5;Okpomọkụ: 25 Celsius C (1) ACD
Solubility Molar 1.1 x 10-7 mol / l pH 6;Okpomọkụ: 25 Celsius C (1) ACD
Solubility Molar 1.1 x 10-7 mol / l pH 7;Okpomọkụ: 25 Celsius C (1) ACD
Solubility Molar 1.1 x 10-7 mol / l pH 8;Okpomọkụ: 25 Celsius C (1) ACD

 

Ngwongwo Uru Ọnọdụ Isi mmalite
Solubility Molar 1.5 x 10-7 mol / l pH 9;Okpomọkụ: 25 Celsius C (1) ACD
Solubility Molar 5.2 x 10-7 mol / l pH 10;Okpomọkụ: 25 Celsius C (1) ACD
Solubility Molar 1.1 x 10-7 mol / l Mmiri na-enweghị atụ pH 7.00;Okpomọkụ: 25 Celsius C (1) ACD
Ibu molekụla 760.81    
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 18   (1) ACD
H Ndị nnabata 13   (1) ACD
H Ndị na-enye onyinye 1   (1) ACD
H Donor/Anabata Nchikota 14   (1) ACD
logP 6.581±0.646 Okpomọkụ: 25 Celsius C (1) ACD
Ibu molekụla 760.81    

(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 155 A2 (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

Nkwupụta egwu GHS

Koodu Nkwupụta egwu Isi mmalite
H335 Nwere ike ịkpata mgbakasị iku ume Achọpụtara ọkachamara
H331 Na-egbu egbu ma ọ bụrụ na ikuru ume Achọpụtara ọkachamara
H319 Na-ebute oke iwe anya Achọpụtara ọkachamara
H315 Na-ebute mgbakasị anụ ahụ Achọpụtara ọkachamara

 

Koodu Nkwupụta egwu Isi mmalite
H311 Nsi na kọntaktị na akpụkpọ ahụ Achọpụtara ọkachamara
H301+H311+H331 Na-egbu egbu ma ọ bụrụ na iloro ya, na kọntaktị na akpụkpọ ahụ ma ọ bụ ikuru ume Achọpụtara ọkachamara
H301 Na-egbu egbu ma ọ bụrụ na ejiri ya Achọpụtara ọkachamara

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