C30H29FN2O7 Uridine, 5′-O-[bis (4-methoxyphenyl) phenylmethyl]-2′-deoxy-2′- fluoro- (9CI, ACI)

ngwaahịa

C30H29FN2O7 Uridine, 5′-O-[bis (4-methoxyphenyl) phenylmethyl]-2′-deoxy-2′- fluoro- (9CI, ACI)

Ozi bụ isi:


Nkọwa ngwaahịa

Mkpado ngwaahịa

Njirimara anụ ahụ

Njirimara anụ ahụ igodo Uru Ọnọdụ
Ibu molekụla 548.56 -
Ebe mgbaze (nnwale) 118-120 Celsius C -
Njupụta (buru amụma) 1.38±0.1 g/cm3 Okpomọkụ: 20 °C; Pịa: 760 Torr
pKa (buru amụma) 9.39±0.10 Okpomọkụ kachasị acidic: 25 Celsius

Aha ndị ọzọ na njirimara

Canonical SILES O=C1C=CN(C(=O)N1)C2OC(COC(C=3C=CC=CC3)(C4=CC=C(OC)C=C4)C5=CC=C(OC)C= C5)C(O)C2F
Isomeric SMILES C (OC[C@H] 1O[C@H]([C@H](F)[C@@H]1O)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/C30H29FN2O7/c1-37-22-12-8-20(9-13-22)30(19-6-4-3-5-7-19,21-10-14-23(38- 2)15-11-21)39-18-24-27 (35)26 (31)28 (40-24)33
-17-16-25(34)32-29(33)36/h3-17,24,26-28,35H,18H2,1-2H3,(H,32,34,36)/t24-,26- ,27-,28-/m1/s1
Igodo InChi
CSSFZSSZXOCCJB-YULOIDQLSA-N
1 Aha ọzọ maka ihe a
5'-O-[Bis (4-methoxyphenyl) phenylmethyl]-2'-deoxy-2'-fluorouridine (ACI)

Njirimara nnwale

Ngwongwo dị
Thermal

Thermal

Ngwongwo Uru Ọnọdụ Isi mmalite
Ebe Na-agbaze 118-120 Celsius C (1) CAS

(1) Penjarla, Srishylam; Nucleosides, Nucleotides & Nucleic Acids, (2018), 37 (4), 232-247, CAplus

Spectra nnwale

Spectra dị
1H NMR
13C NMR

Njirimara amụma

Ngwongwo dị
Usoro ndu
Chemical
Njupụta
Lipinski
Ọdịdị metụtara

Usoro ndu

Ngwongwo Uru Ọnọdụ Isi mmalite
Ihe kpatara bioconcentration 3580 pH 1; Okpomọkụ: 25 Celsius C (1) ACD
Ihe kpatara bioconcentration 3580 pH 2; Okpomọkụ: 25 Celsius C (1) ACD
Ihe kpatara bioconcentration 3580 pH 3; Okpomọkụ: 25 Celsius C (1) ACD
Ihe kpatara bioconcentration 3580 pH 4; Okpomọkụ: 25 Celsius C (1) ACD
Ihe kpatara bioconcentration 3580 pH 5; Okpomọkụ: 25 Celsius C (1) ACD
Ihe kpatara bioconcentration 3580 pH 6; Okpomọkụ: 25 Celsius C (1) ACD
Ihe kpatara bioconcentration 3570 pH 7; Okpomọkụ: 25 Celsius C (1) ACD
Ihe kpatara bioconcentration 3430 pH 8; Okpomọkụ: 25 Celsius C (1) ACD
Ihe kpatara bioconcentration 2500 pH 9; Okpomọkụ: 25 Celsius C (1) ACD
Ihe kpatara bioconcentration 689 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 12200 pH 1; Okpomọkụ: 25 Celsius C (1) ACD
Koc 12200 pH 2; Okpomọkụ: 25 Celsius C (1) ACD
Koc 12200 pH 3; Okpomọkụ: 25 Celsius C (1) ACD
Koc 12200 pH 4; Okpomọkụ: 25 Celsius C (1) ACD
Koc 12200 pH 5; Okpomọkụ: 25 Celsius C (1) ACD
Koc 12200 pH 6; Okpomọkụ: 25 Celsius C (1) ACD
Koc 12100 pH 7; Okpomọkụ: 25 Celsius C (1) ACD
Koc 11700 pH 8; Okpomọkụ: 25 Celsius C (1) ACD
Koc 8480 pH 9; Okpomọkụ: 25 Celsius C (1) ACD
Koc 2340 pH 10; Okpomọkụ: 25 Celsius C (1) ACD
logD 4.98 pH 1; Okpomọkụ: 25 Celsius C (1) ACD
logD 4.98 pH 2; Okpomọkụ: 25 Celsius C (1) ACD
logD 4.98 pH 3; Okpomọkụ: 25 Celsius C (1) ACD
logD 4.98 pH 4; Okpomọkụ: 25 Celsius C (1) ACD
logD 4.98 pH 5; Okpomọkụ: 25 Celsius C (1) ACD
logD 4.98 pH 6; Okpomọkụ: 25 Celsius C (1) ACD
logD 4.98 pH 7; Okpomọkụ: 25 Celsius C (1) ACD
logD 4.96 pH 8; Okpomọkụ: 25 Celsius C (1) ACD
logD 4.82 pH 9; Okpomọkụ: 25 Celsius C (1) ACD
logD 4.26 pH 10; Okpomọkụ: 25 Celsius C (1) ACD
logP 4.979±0.563 Okpomọkụ: 25 Celsius C (1) ACD
Ọkachamara Solubility dị n'ime 9.9 x 10-5 g/L Okpomọkụ: 25 Celsius C (1) ACD
Uka Solubility 9.9 x 10-5 g/L pH 1; Okpomọkụ: 25 Celsius C (1) ACD
Uka Solubility 9.9 x 10-5 g/L pH 2; Okpomọkụ: 25 Celsius C (1) ACD
Uka Solubility 9.9 x 10-5 g/L pH 3; Okpomọkụ: 25 Celsius C (1) ACD
Uka Solubility 9.9 x 10-5 g/L pH 4; Okpomọkụ: 25 Celsius C (1) ACD
Uka Solubility 9.9 x 10-5 g/L pH 5; Okpomọkụ: 25 Celsius C (1) ACD
Uka Solubility 9.9 x 10-5 g/L pH 6; Okpomọkụ: 25 Celsius C (1) ACD
Uka Solubility 9.9 x 10-5 g/L pH 7; Okpomọkụ: 25 Celsius C (1) ACD
Uka Solubility 9.9 x 10-5 g/L pH 8; Okpomọkụ: 25 Celsius C (1) ACD
Uka Solubility 1.4 x 10-4 g/L pH 9; Okpomọkụ: 25 Celsius C (1) ACD
Uka Solubility 5.0 x 10-4 g/L pH 10; Okpomọkụ: 25 Celsius C (1) ACD

 

Ngwongwo Uru Ọnọdụ Isi mmalite
Uka Solubility 9.9 x 10-5 g/L Mmiri na-enweghị atụ pH 7.00; Okpomọkụ: 25 Celsius C (1) ACD
Solubility dị n'ime Molar 1.8 x 10-7 mol / l Okpomọkụ: 25 Celsius C (1) ACD
Solubility Molar 1.8 x 10-7 mol / l pH 1; Okpomọkụ: 25 Celsius C (1) ACD
Solubility Molar 1.8 x 10-7 mol / l pH 2; Okpomọkụ: 25 Celsius C (1) ACD
Solubility Molar 1.8 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 1.8 x 10-7 mol / l pH 5; Okpomọkụ: 25 Celsius C (1) ACD
Solubility Molar 1.8 x 10-7 mol / l pH 6; Okpomọkụ: 25 Celsius C (1) ACD
Solubility Molar 1.8 x 10-7 mol / l pH 7; Okpomọkụ: 25 Celsius C (1) ACD
Solubility Molar 1.8 x 10-7 mol / l pH 8; Okpomọkụ: 25 Celsius C (1) ACD
Solubility Molar 2.5 x 10-7 mol / l pH 9; Okpomọkụ: 25 Celsius C (1) ACD
Solubility Molar 9.2 x 10-7 mol/L pH 10; Okpomọkụ: 25 Celsius C (1) ACD
Solubility Molar 1.8 x 10-7 mol / l Mmiri na-enweghị atụ pH 7.00; Okpomọkụ: 25 Celsius C (1) ACD
Ibu molekụla 548.56    
pKa 9.39±0.10 Okpomọkụ kachasị acidic: 25 Celsius (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 1.38±0.1 g/cm3 Okpomọkụ: 20 °C; Pịa: 760 Torr (1) ACD
Olu Molar 395.8± 5.0 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 10   (1) ACD
H Ndị nnabata 9   (1) ACD
H Ndị na-enye onyinye 2   (1) ACD
H Donor/Anabata Nchikota 11   (1) ACD
logP 4.979±0.563 Okpomọkụ: 25 Celsius C (1) ACD
Ibu molekụla 548.56    

(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 107 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


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