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

chigadzirwa

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

Basic Information:


Product Detail

Product Tags

Zvinhu zvenyama

Zvinhu Zvinokosha Zvemuviri Value Condition
Molecular Weight 546.57 -
Melting Point (Yekuedza) 111-112 °C Solvent: Ethyl acetate
Density (zvakafanotaurwa) 1.343±0.06 g/cm3 Tembiricha: 20 °C;Dhinda: 760 Torr
pKa (Zvakafanotaurwa) 9.39±0.10 Yakanyanya Acid Temp: 25 °C

Mamwe Mazita Nezviziviso

Canonical SMILES O=C1C=CN(C(=O)N1)C2OC(COC(C=3C=CC=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 Mamwe Mazita eChinhu ichi
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

Experimental Properties

Properties iripo
Thermal

Thermal

Property Value Condition

Source

Melting Point 122-123 °C    

(1) CAS

Melting Point 111-112 °C Solvent: Ethyl acetate

(2) CAS

Melting Point Ona Rugwaro Rwakazara    

(3) CAS

(1) Zekri, Negari;Bulletin yeChemical Society yeEthiopia, (2010), 24 (2), 299-304, CAplus

(2) Patil, Premanand Ramrao;Nyaya yeCarbohydrate Chemistry, (2008), 27 (5), 279-293, CAplus

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

Experimental Spectra

Spectra iripo
1H NMR
13C NMR
Misa

Predicted Properties

Properties iripo
Biological
Chemical
Density
Lipinski
Chimiro Chinoenderana

Biological

Property Value Condition Source
Bioconcentration Factor 904 pH 1;Tembiricha: 25 °C (1) ACD
Bioconcentration Factor 904 pH 2;Tembiricha: 25 °C (1) ACD
Bioconcentration Factor 904 pH 3;Tembiricha: 25 °C (1) ACD
Bioconcentration Factor 904 pH 4;Tembiricha: 25 °C (1) ACD
Bioconcentration Factor 904 pH 5;Tembiricha: 25 °C (1) ACD
Bioconcentration Factor 904 pH 6;Tembiricha: 25 °C (1) ACD
Bioconcentration Factor 900 pH 7;Tembiricha: 25 °C (1) ACD
Bioconcentration Factor 861 pH 8;Tembiricha: 25 °C (1) ACD
Bioconcentration Factor 602 pH 9;Tembiricha: 25 °C (1) ACD

 

Property Value Condition Source
Bioconcentration Factor 156 pH 10;Tembiricha: 25 °C (1) ACD

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

Chemical

Property Value Condition Source
Koc 4550 pH 1;Tembiricha: 25 °C (1) ACD
Koc 4550 pH 2;Tembiricha: 25 °C (1) ACD
Koc 4550 pH 3;Tembiricha: 25 °C (1) ACD
Koc 4550 pH 4;Tembiricha: 25 °C (1) ACD
Koc 4550 pH 5;Tembiricha: 25 °C (1) ACD
Koc 4540 pH 6;Tembiricha: 25 °C (1) ACD
Koc 4520 pH 7;Tembiricha: 25 °C (1) ACD
Koc 4330 pH 8;Tembiricha: 25 °C (1) ACD
Koc 3030 pH 9;Tembiricha: 25 °C (1) ACD
Koc 785 pH 10;Tembiricha: 25 °C (1) ACD
logD 4.19 pH 1;Tembiricha: 25 °C (1) ACD
logD 4.19 pH 2;Tembiricha: 25 °C (1) ACD
logD 4.19 pH 3;Tembiricha: 25 °C (1) ACD
logD 4.19 pH 4;Tembiricha: 25 °C (1) ACD
logD 4.19 pH 5;Tembiricha: 25 °C (1) ACD
logD 4.19 pH 6;Tembiricha: 25 °C (1) ACD
logD 4.19 pH 7;Tembiricha: 25 °C (1) ACD
logD 4.17 pH 8;Tembiricha: 25 °C (1) ACD
logD 4.02 pH 9;Tembiricha: 25 °C (1) ACD
logD 3.43 pH 10;Tembiricha: 25 °C (1) ACD
logP 4.192±0.628 Tembiricha: 25 °C (1) ACD
Mass Intrinsic Solubility 3.2 x 10-4 g/L Tembiricha: 25 °C (1) ACD
Mass Solubility 3.2 x 10-4 g/L pH 1;Tembiricha: 25 °C (1) ACD
Mass Solubility 3.2 x 10-4 g/L pH 2;Tembiricha: 25 °C (1) ACD
Mass Solubility 3.2 x 10-4 g/L pH 3;Tembiricha: 25 °C (1) ACD
Mass Solubility 3.2 x 10-4 g/L pH 4;Tembiricha: 25 °C (1) ACD
Mass Solubility 3.2 x 10-4 g/L pH 5;Tembiricha: 25 °C (1) ACD
Mass Solubility 3.2 x 10-4 g/L pH 6;Tembiricha: 25 °C (1) ACD
Mass Solubility 3.2 x 10-4 g/L pH 7;Tembiricha: 25 °C (1) ACD

 

Property Value Condition Source
Mass Solubility 3.3 x 10-4 g/L pH 8;Tembiricha: 25 °C (1) ACD
Mass Solubility 4.8 x 10-4 g/L pH 9;Tembiricha: 25 °C (1) ACD
Mass Solubility 1.9 x 10-3 g/L pH 10;Tembiricha: 25 °C (1) ACD
Mass Solubility 3.2 x 10-4 g/L Unbuffered Mvura pH 6.99;Tembiricha: 25 °C (1) ACD
Molar Intrinsic Solubility 5.8 x 10-7 mol/L Tembiricha: 25 °C (1) ACD
Molar Solubility 5.8 x 10-7 mol/L pH 1;Tembiricha: 25 °C (1) ACD
Molar Solubility 5.8 x 10-7 mol/L pH 2;Tembiricha: 25 °C (1) ACD
Molar Solubility 5.8 x 10-7 mol/L pH 3;Tembiricha: 25 °C (1) ACD
Molar Solubility 5.8 x 10-7 mol/L pH 4;Tembiricha: 25 °C (1) ACD
Molar Solubility 5.8 x 10-7 mol/L pH 5;Tembiricha: 25 °C (1) ACD
Molar Solubility 5.8 x 10-7 mol/L pH 6;Tembiricha: 25 °C (1) ACD
Molar Solubility 5.8 x 10-7 mol/L pH 7;Tembiricha: 25 °C (1) ACD
Molar Solubility 6.1 x 10-7 mol/L pH 8;Tembiricha: 25 °C (1) ACD
Molar Solubility 8.7 x 10-7 mol/L pH 9;Tembiricha: 25 °C (1) ACD
Molar Solubility 3.4 x 10-6 mol/L pH 10;Tembiricha: 25 °C (1) ACD
Molar Solubility 5.8 x 10-7 mol/L Unbuffered Mvura pH 6.99;Tembiricha: 25 °C (1) ACD
Molecular Weight 546.57    
pKa 9.39±0.10 Yakanyanya Acid Temp: 25 °C (1) ACD

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

Density

Property Value Condition Source
Density 1.343±0.06 g/cm3 Tembiricha: 20 °C;Dhinda: 760 Torr (1) ACD
Molar Volume 406.9±3.0 cm3/mol Tembiricha: 20 °C;Dhinda: 760 Torr (1) ACD

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

Lipinski

Property Value Condition Source
Zvakasununguka Zvisungo Zvinotenderera 11   (1) ACD
H Vagamuchiri 10   (1) ACD
H Vanopa 3   (1) ACD
H Donor/Acceptor Sum 13   (1) ACD
logP 4.192±0.628 Tembiricha: 25 °C (1) ACD
 

 

Property Value

Condition

Source
Molecular Weight 546.57

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

Chimiro Chinoenderana

Property Value

Condition

Source
Nzvimbo yePolar Surface 127 A2 (1) ACD

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

Predicted Spectra

Spectra iripo
1H NMR
13C NMR


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