C40H49N4O9P Uridine, 5′-O- [bis (4-methoxyphenyl) phenylmethyl] -2′ -O-methyl-, 3′ – [2-cyanoethyl N, N-bis (1-methylethyl) phosphoramidite] (ACI)
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 |
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
Igodo InChi
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
Ngwongwo dị
Usoro ndu
Chemical
Lipinski
Ọdịdị metụtara
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)
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)
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)
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 dị
1H NMR
13C NMR
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-eloda ya | Achọpụtara ọkachamara |