C30H30N2O8 Uridine, 5′-O-[bis (4-methoxyphenyl) phenylmethyl]- (9CI, ACI)
Njirimara anụ ahụ igodo | Uru | Ọnọdụ |
Ibu molekụla | 546.57 | - |
Ebe mgbaze (nnwale) | 111-112 Celsius C | Ihe mgbaze: ethyl acetate |
Njupụta (buru amụma) | 1.343±0.06 g/cm3 | Okpomọkụ: 20 °C; Pịa: 760 Torr |
pKa (buru amụma) | 9.39±0.10 | Okpomọkụ kachasị acidic: 25 Celsius |
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)C2O
Isomeric SMILES C (OC[C@H] 1O[C@H]([C@H](O)[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/C30H30N2O8/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)39-18-24-26(34)27(35)28(40-24)32-
17-16-25(33)31-29(32)36/h3-17,24,26-28,34-35H,18H2,1-2H3,(H,31,33,36)/t24-,26 -,27-,28-/m1/s1
Igodo InChi
PCFSNQYXXACUHM-YULOIDQLSA-N
4 Aha ndị ọzọ maka ihe a
5′-O-[Bis (4-methoxyphenyl) phenylmethyl] uridine (ACI); Uridine, 5′-O-[α,α-bis (p-methoxyphenyl) benzyl] - (7CI); 5'-Dimethoxytrityl uridine; 5'-O- (4,4'-Dimethoxytril) uridine
Ngwongwo dị |
Thermal |
Thermal
Ngwongwo | Uru | Ọnọdụ | Isi mmalite | |
Ebe Na-agbaze | 122-123 Celsius C | (1) CAS | ||
Ebe Na-agbaze | 111-112 Celsius C | Ihe mgbaze: | Ethyl acetate | (2) CAS |
Ebe Na-agbaze | Lee ederede zuru oke | (3) CAS |
(1) Zekri, Negar; Akwụkwọ akụkọ nke Chemical Society of Ethiopia, (2010), 24 (2), 299-304, CAplus
(2) Patil, Premanand Ramrao; Akwụkwọ akụkọ nke Carbohydrate Chemistry, (2008), 27 (5), 279-293, CAplus
(3) Khalafi-Nezhad, Ali; Akwụkwọ ozi Tetrahedron, (2004), 45 (36), 6737-6739, CAplus
Spectra dị
1H NMR
13C NMR
Mass
Ngwongwo dị |
Usoro ndu |
Chemical |
Njupụta |
Lipinski |
Ọdịdị metụtara |
Usoro ndu
Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
Ihe kpatara bioconcentration | 904 | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
Ihe kpatara bioconcentration | 904 | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
Ihe kpatara bioconcentration | 904 | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
Ihe kpatara bioconcentration | 904 | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
Ihe kpatara bioconcentration | 904 | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
Ihe kpatara bioconcentration | 904 | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
Ihe kpatara bioconcentration | 900 | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
Ihe kpatara bioconcentration | 861 | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
Ihe kpatara bioconcentration | 602 | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
Ihe kpatara bioconcentration | 156 | 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 | 4550 | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
Koc | 4550 | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
Koc | 4550 | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
Koc | 4550 | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
Koc | 4550 | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
Koc | 4540 | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
Koc | 4520 | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
Koc | 4330 | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
Koc | 3030 | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
Koc | 785 | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
logD | 4.19 | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
logD | 4.19 | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
logD | 4.19 | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
logD | 4.19 | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
logD | 4.19 | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
logD | 4.19 | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
logD | 4.19 | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
logD | 4.17 | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
logD | 4.02 | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
logD | 3.43 | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
logP | 4.192± 0.628 | Okpomọkụ: 25 Celsius C | (1) ACD |
Ọkachamara Solubility dị n'ime | 3.2 x 10-4 g/L | Okpomọkụ: 25 Celsius C | (1) ACD |
Uka Solubility | 3.2 x 10-4 g/L | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
Uka Solubility | 3.2 x 10-4 g/L | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
Uka Solubility | 3.2 x 10-4 g/L | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
Uka Solubility | 3.2 x 10-4 g/L | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
Uka Solubility | 3.2 x 10-4 g/L | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
Uka Solubility | 3.2 x 10-4 g/L | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
Uka Solubility | 3.2 x 10-4 g/L | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
Uka Solubility | 3.3 x 10-4 g/L | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
Uka Solubility | 4.8 x 10-4 g/L | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
Uka Solubility | 1.9 x 10-3 g/L | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
Uka Solubility | 3.2 x 10-4 g/L | Mmiri na-enweghị atụ pH 6.99; Okpomọkụ: 25 Celsius C | (1) ACD |
Solubility dị n'ime Molar | 5.8 x 10-7 mol/L | Okpomọkụ: 25 Celsius C | (1) ACD |
Solubility Molar | 5.8 x 10-7 mol/L | pH 1; Okpomọkụ: 25 Celsius C | (1) ACD |
Solubility Molar | 5.8 x 10-7 mol/L | pH 2; Okpomọkụ: 25 Celsius C | (1) ACD |
Solubility Molar | 5.8 x 10-7 mol/L | pH 3; Okpomọkụ: 25 Celsius C | (1) ACD |
Solubility Molar | 5.8 x 10-7 mol/L | pH 4; Okpomọkụ: 25 Celsius C | (1) ACD |
Solubility Molar | 5.8 x 10-7 mol/L | pH 5; Okpomọkụ: 25 Celsius C | (1) ACD |
Solubility Molar | 5.8 x 10-7 mol/L | pH 6; Okpomọkụ: 25 Celsius C | (1) ACD |
Solubility Molar | 5.8 x 10-7 mol/L | pH 7; Okpomọkụ: 25 Celsius C | (1) ACD |
Solubility Molar | 6.1 x 10-7 mol/L | pH 8; Okpomọkụ: 25 Celsius C | (1) ACD |
Solubility Molar | 8.7 x 10-7 mol/L | pH 9; Okpomọkụ: 25 Celsius C | (1) ACD |
Solubility Molar | 3.4 x 10-6 mol/L | pH 10; Okpomọkụ: 25 Celsius C | (1) ACD |
Solubility Molar | 5.8 x 10-7 mol/L | Mmiri na-enweghị atụ pH 6.99; Okpomọkụ: 25 Celsius C | (1) ACD |
Ibu molekụla | 546.57 | ||
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 | 1.343±0.06 g/cm3 | Okpomọkụ: 20 °C; Pịa: 760 Torr | (1) ACD |
Olu Molar | 406.9±3.0 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 | 11 | (1) ACD | |
H Ndị nnabata | 10 | (1) ACD | |
H Ndị na-enye onyinye | 3 | (1) ACD | |
H Donor/Anabata Nchikota | 13 | (1) ACD | |
logP | 4.192± 0.628 | Okpomọkụ: 25 Celsius C | (1) ACD |
Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
Ibu molekụla | 546.57 |
(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 | 127 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