C30H30N2O8 Uridine, 5′-O-[bis (4-methoxyphenyl)phenylmethyl]- (9CI, ACI)

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C30H30N2O8 Uridine, 5′-O-[bis (4-methoxyphenyl)phenylmethyl]- (9CI, ACI)

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Product Detail

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Molecular Luj 546.57 ib -
Melting Point (Kev sim) 111-112 ° C Cov kuab tshuaj: Ethyl acetate
Density (Tswv Ntuj) 1.343 ± 0.06 g / cm3 Kub: 20 ° C; Xov: 760 Torr
pKa (Predicted) 9.39 ± 0.10 Feem ntau acidic kub: 25 ° C

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Canonical SMILES 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
InChI Key
PCFSNQYXXACUHM-YULOIDQLSA-N
4 Lwm Lub Npe rau Cov Khoom no
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′-Dimethoxytrityl) uridine

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Melting Point 122-123 ° C    

(1) CAS

Melting Point 111-112 ° C Solvent: Ethyl acetate hmoov

(2) CAS

Melting Point Saib Daim Ntawv Qhia Tag Nrho    

(3) CAS

(1) Zekri, Negar; Bulletin of the Chemical Society of Ethiopia, (2010), 24(2), 299-304, CAplus

(2) Patil, Premanand Ramrao; Phau ntawv Journal of Carbohydrate Chemistry, (2008), 27(5), 279-293, CAplus

(3) Khalafi-Nezhad, Ali; Tetrahedron Letters, (2004), 45(36), 6737-6739, CAplus

Kev sim Spectra

Spectra muaj
1 H NMR
13 C NMR
Pawg

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Tshuaj lom neeg
Tshuaj
Qhov ntom
Lipinski
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Bioconcentration Factor 904 ib pH 1; Kub: 25 ° C (1) ACD
Bioconcentration Factor 904 ib pH 2; Kub: 25 ° C (1) ACD
Bioconcentration Factor 904 ib pH 3; Kub: 25 ° C (1) ACD
Bioconcentration Factor 904 ib pH 4; Kub: 25 ° C (1) ACD
Bioconcentration Factor 904 ib pH 5; Kub: 25 ° C (1) ACD
Bioconcentration Factor 904 ib pH 6; Kub: 25 ° C (1) ACD
Bioconcentration Factor 900 pH 7; Kub: 25 ° C (1) ACD
Bioconcentration Factor 861 ib pH 8; Kub: 25 ° C (1) ACD
Bioconcentration Factor 602 ib pH 9; Kub: 25 ° C (1) ACD

 

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Bioconcentration Factor 156 pH 10; Kub: 25 ° C (1) ACD

(1) Xam siv Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Tshuaj

Khoom Tus nqi Qhov xwm txheej Qhov chaw
Koc 4 550 pH 1; Kub: 25 ° C (1) ACD
Koc 4 550 pH 2; Kub: 25 ° C (1) ACD
Koc 4 550 pH 3; Kub: 25 ° C (1) ACD
Koc 4 550 pH 4; Kub: 25 ° C (1) ACD
Koc 4 550 pH 5; Kub: 25 ° C (1) ACD
Koc ib 4540 pH 6; Kub: 25 ° C (1) ACD
Koc ib 4520 pH 7; Kub: 25 ° C (1) ACD
Koc ib 4330 pH 8; Kub: 25 ° C (1) ACD
Koc 3 030 pH 9; Kub: 25 ° C (1) ACD
Koc 785 ib pH 10; Kub: 25 ° C (1) ACD
logD 4.19 ib pH 1; Kub: 25 ° C (1) ACD
logD 4.19 ib pH 2; Kub: 25 ° C (1) ACD
logD 4.19 ib pH 3; Kub: 25 ° C (1) ACD
logD 4.19 ib pH 4; Kub: 25 ° C (1) ACD
logD 4.19 ib pH 5; Kub: 25 ° C (1) ACD
logD 4.19 ib pH 6; Kub: 25 ° C (1) ACD
logD 4.19 ib pH 7; Kub: 25 ° C (1) ACD
logD 4.17 ib pH 8; Kub: 25 ° C (1) ACD
logD 4.02 ib pH 9; Kub: 25 ° C (1) ACD
logD 3.43 ib pH 10; Kub: 25 ° C (1) ACD
logP 4.192 ± 0.628 Kub: 25 ° C (1) ACD
Mass Intrinsic Solubility 3.2 x 10-4 g / L Kub: 25 ° C (1) ACD
Loj Solubility 3.2 x 10-4 g / L pH 1; Kub: 25 ° C (1) ACD
Loj Solubility 3.2 x 10-4 g / L pH 2; Kub: 25 ° C (1) ACD
Loj Solubility 3.2 x 10-4 g / L pH 3; Kub: 25 ° C (1) ACD
Loj Solubility 3.2 x 10-4 g / L pH 4; Kub: 25 ° C (1) ACD
Loj Solubility 3.2 x 10-4 g / L pH 5; Kub: 25 ° C (1) ACD
Loj Solubility 3.2 x 10-4 g / L pH 6; Kub: 25 ° C (1) ACD
Loj Solubility 3.2 x 10-4 g / L pH 7; Kub: 25 ° C (1) ACD

 

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Loj Solubility 3.3 x 10-4 g / L pH 8; Kub: 25 ° C (1) ACD
Loj Solubility 4.8 x 10-4 g / L pH 9; Kub: 25 ° C (1) ACD
Loj Solubility 1.9 x 10-3 g/L pH 10; Kub: 25 ° C (1) ACD
Loj Solubility 3.2 x 10-4 g / L Unbuffered Dej pH 6.99; Kub: 25 ° C (1) ACD
Molar Intrinsic Solubility 5.8 x 10-7 mol / L Kub: 25 ° C (1) ACD
Molar Solubility 5.8 x 10-7 mol / L pH 1; Kub: 25 ° C (1) ACD
Molar Solubility 5.8 x 10-7 mol / L pH 2; Kub: 25 ° C (1) ACD
Molar Solubility 5.8 x 10-7 mol / L pH 3; Kub: 25 ° C (1) ACD
Molar Solubility 5.8 x 10-7 mol / L pH 4; Kub: 25 ° C (1) ACD
Molar Solubility 5.8 x 10-7 mol / L pH 5; Kub: 25 ° C (1) ACD
Molar Solubility 5.8 x 10-7 mol / L pH 6; Kub: 25 ° C (1) ACD
Molar Solubility 5.8 x 10-7 mol / L pH 7; Kub: 25 ° C (1) ACD
Molar Solubility 6.1 x 10-7 mol / L pH 8; Kub: 25 ° C (1) ACD
Molar Solubility 8.7 x 10-7 mol / L pH 9; Kub: 25 ° C (1) ACD
Molar Solubility 3.4 x 10-6 mol / L pH 10; Kub: 25 ° C (1) ACD
Molar Solubility 5.8 x 10-7 mol / L Unbuffered Dej pH 6.99; Kub: 25 ° C (1) ACD
Molecular Luj 546.57 ib    
pKa 9.39 ± 0.10 Feem ntau acidic kub: 25 ° C (1) ACD

(1) Xam siv Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Qhov ntom

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Qhov ntom 1.343 ± 0.06 g / cm3 Kub: 20 ° C; Xov: 760 Torr (1) ACD
Molar Volume 406.9 ± 3.0 cm3 / mol Kub: 20 ° C; Xov: 760 Torr (1) ACD

(1) Xam siv Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Lipinski

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Dawb Rotatable Bonds 11   (1) ACD
H Txais 10   (1) ACD
H Pub 3   (1) ACD
H Pub/Acceptor Sum 13   (1) ACD
logP 4.192 ± 0.628 Kub: 25 ° C (1) ACD
 

 

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Molecular Luj 546.57 ib

(1) Xam siv Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

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Polar Surface Area 127 A2 (1) ACD

(1) Xam siv Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Predicted Spectra

Spectra muaj
1 H NMR
13 C NMR


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