C45H56N7O9P Guanosine, 5'-O- [bis(4-methoxyphenyl) phenylmethyl]-2'-O-methyl- N- (2-methyl-1-oxopropyl) -, 3'- [2-cyanoethyl N, N-bis (1-methylethyl) phosphoramite (ACI)

ngwaahịa

C45H56N7O9P Guanosine, 5'-O- [bis(4-methoxyphenyl) phenylmethyl]-2'-O-methyl- N- (2-methyl-1-oxopropyl) -, 3'- [2-cyanoethyl N, N-bis (1-methylethyl) phosphoramite (ACI)

Ozi bụ isi:


Nkọwa ngwaahịa

Mkpado ngwaahịa

Nkọwa ihe

Nọmba ndekọ CAS

150780-67-9

H303

Njirimara anụ ahụ igodo Uru Ọnọdụ
Ibu molekụla 869.94 -
pKa (buru amụma) 9.16±0.20 Okpomọkụ kachasị acidic: 25 Celsius

Aha ndị ọzọ na njirimara

N#CCCOP(OC1C(OC(N2C= NC=3C(=O)N=C(NC(=O)C(C)C)NC32)C1OC)COC(C=4C=CC=CC4)(C5=CC) =C(OC)C=C5)C6=CC=C(OC)C=C6)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)N2C3=C(N=C2)C(=O)N=C(NC(C(C)C)=O)N3(C4=CC=C(OC) C=C4)(C5) =CC=C(OC)C=C5)C6=CC=CC=C6

InChi

InChi= 1S/C45H56N7O9P/c1-28(2)41(53)49-44-48-40-37(42(54)50-44)47-27-51(40)43-39(57-9) 38 (61-62 (59-25-13-24-)

46)52 (29 (3)4)30 (5)6)36 (60-43)26-58-45 (31-14-11-10-12-15-31,32-16-20-34 55-7)21-17-32)33-18-22-35(56-8)23-19-33/h10-12,14-23,27 -30,36,38-39,43H,13, 25-26H2,1-9H3,(H2,48,49,50,53,54)/t36-,38-,39-,43-,62?/m1/s1

Igodo InChi

IRRDHRZUOZNWDJ-MLLDKZSOSA-N

1 Aha ọzọ maka ihe a

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

Spectra nnwale

Spectra dị
13C NMR
Hetero NMR

Njirimara amụma

Ngwongwo dị
Usoro ndu
Chemical
Lipinski
Ọdịdị metụtara

Usoro ndu

Ngwongwo Uru Ọnọdụ Isi mmalite
Ihe kpatara bioconcentration 183 pH 1; Okpomọkụ: 25 Celsius C (1) ACD
Ihe kpatara bioconcentration 3890 pH 2; Okpomọkụ: 25 Celsius C (1) ACD
Ihe kpatara bioconcentration 35500 pH 3; Okpomọkụ: 25 Celsius C (1) ACD
Ihe kpatara bioconcentration 1.08 x 105 pH 4; Okpomọkụ: 25 Celsius C (1) ACD
Ihe kpatara bioconcentration 1.36 x 105 pH 5; Okpomọkụ: 25 Celsius C (1) ACD
Ihe kpatara bioconcentration 1.39 x 105 pH 6; Okpomọkụ: 25 Celsius C (1) ACD
Ihe kpatara bioconcentration 1,38 x 105 pH 7; Okpomọkụ: 25 Celsius C (1) ACD
Ihe kpatara bioconcentration 1.24 x 105 pH 8; Okpomọkụ: 25 Celsius C (1) ACD
Ihe kpatara bioconcentration 63600 pH 9; Okpomọkụ: 25 Celsius C (1) ACD
Ihe kpatara bioconcentration 11900 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 220 pH 1; Okpomọkụ: 25 Celsius C (1) ACD
Koc 4680 pH 2; Okpomọkụ: 25 Celsius C (1) ACD
Koc 42600 pH 3; Okpomọkụ: 25 Celsius C (1) ACD
Koc 1.30 x 105 pH 4; Okpomọkụ: 25 Celsius C (1) ACD
Koc 1.63 x 105 pH 5; Okpomọkụ: 25 Celsius C (1) ACD
Koc 1,67 x 105 pH 6; Okpomọkụ: 25 Celsius C (1) ACD
Koc 1.65 x 105 pH 7; Okpomọkụ: 25 Celsius C (1) ACD
Koc 1,49 x 105 pH 8; Okpomọkụ: 25 Celsius C (1) ACD

 

Ngwongwo Uru Ọnọdụ Isi mmalite
Koc 76400 pH 9; Okpomọkụ: 25 Celsius C (1) ACD
Koc 14200 pH 10; Okpomọkụ: 25 Celsius C (1) ACD
logD 4.19 pH 1; Okpomọkụ: 25 Celsius C (1) ACD
logD 5.52 pH 2; Okpomọkụ: 25 Celsius C (1) ACD
logD 6.48 pH 3; Okpomọkụ: 25 Celsius C (1) ACD
logD 6.96 pH 4; Okpomọkụ: 25 Celsius C (1) ACD
logD 7.06 pH 5; Okpomọkụ: 25 Celsius C (1) ACD
logD 7.07 pH 6; Okpomọkụ: 25 Celsius C (1) ACD
logD 7.07 pH 7; Okpomọkụ: 25 Celsius C (1) ACD
logD 7.02 pH 8; Okpomọkụ: 25 Celsius C (1) ACD
logD 6.73 pH 9; Okpomọkụ: 25 Celsius C (1) ACD
logD 6.00 pH 10; Okpomọkụ: 25 Celsius C (1) ACD
logP 7.072± 0.721 Okpomọkụ: 25 Celsius C (1) ACD
Ọkachamara Solubility dị n'ime 1.2 x 10-4 g/L Okpomọkụ: 25 Celsius C (1) ACD
Uka Solubility 0.096 g/L pH 1; Okpomọkụ: 25 Celsius C (1) ACD
Uka Solubility 4.3 x 10-3 g/L pH 2; Okpomọkụ: 25 Celsius C (1) ACD
Uka Solubility 4.8 x 10-4 g/L pH 3; Okpomọkụ: 25 Celsius C (1) ACD
Uka Solubility 1.6 x 10-4 g/L pH 4; Okpomọkụ: 25 Celsius C (1) ACD
Uka Solubility 1.2 x 10-4 g/L pH 5; Okpomọkụ: 25 Celsius C (1) ACD
Uka Solubility 1.2 x 10-4 g/L pH 6; Okpomọkụ: 25 Celsius C (1) ACD
Uka Solubility 1.2 x 10-4 g/L pH 7; Okpomọkụ: 25 Celsius C (1) ACD
Uka Solubility 1.4 x 10-4 g/L pH 8; Okpomọkụ: 25 Celsius C (1) ACD
Uka Solubility 2.7 x 10-4 g/L pH 9; Okpomọkụ: 25 Celsius C (1) ACD
Uka Solubility 1.4 x 10-3 g/L pH 10; Okpomọkụ: 25 Celsius C (1) ACD
Uka Solubility 1.2 x 10-4 g/L Mmiri na-enweghị atụ pH 7.00; Okpomọkụ: 25 Celsius C (1) ACD
Solubility dị n'ime Molar 1.4 x 10-7 mol / l Okpomọkụ: 25 Celsius C (1) ACD
Solubility Molar 1.1 x 10-4 mol / l pH 1; Okpomọkụ: 25 Celsius C (1) ACD
Solubility Molar 5.0 x 10-6 mol / l pH 2; Okpomọkụ: 25 Celsius C (1) ACD
Solubility Molar 5.5 x 10-7 mol / l pH 3; Okpomọkụ: 25 Celsius C (1) ACD
Solubility Molar 1.8 x 10-7 mol / l pH 4; Okpomọkụ: 25 Celsius C (1) ACD
Solubility Molar 1.4 x 10-7 mol / l pH 5; Okpomọkụ: 25 Celsius C (1) ACD
Solubility Molar 1.4 x 10-7 mol / l pH 6; Okpomọkụ: 25 Celsius C (1) ACD

 

Ngwongwo Uru Ọnọdụ Isi mmalite
Solubility Molar 1.4 x 10-7 mol / l pH 7; Okpomọkụ: 25 Celsius C (1) ACD
Solubility Molar 1.6 x 10-7 mol / l pH 8; Okpomọkụ: 25 Celsius C (1) ACD
Solubility Molar 3.1 x 10-7 mol/L pH 9; Okpomọkụ: 25 Celsius C (1) ACD
Solubility Molar 1.6 x 10-6 mol/L pH 10; Okpomọkụ: 25 Celsius C (1) ACD
Solubility Molar 1.4 x 10-7 mol / l Mmiri na-enweghị atụ pH 7.00; Okpomọkụ: 25 Celsius C (1) ACD
Ibu molekụla 869.94    
pKa 9.16±0.20 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 19   (1) ACD
H Ndị nnabata 16   (1) ACD
H Ndị na-enye onyinye 2   (1) ACD
H Donor/Anabata Nchikota 18   (1) ACD
logP 7.072± 0.721 Okpomọkụ: 25 Celsius C (1) ACD
Ibu molekụla 869.94    

(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 194 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
H303 Nwere ike imerụ ahụ ma iloro ya Achọpụtara ọkachamara

  • Nke gara aga:
  • Osote:

  • Dee ozi gị ebe a ziga anyị ya