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

produkto

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

Pangunahing Impormasyon:


Detalye ng Produkto

Mga Tag ng Produkto

Mga katangiang pisikal

Pangunahing Pisikal na Katangian Halaga Kundisyon
Molekular na Timbang 546.57 -
Melting Point (Eksperimento) 111-112 °C Solvent: Ethyl acetate
Densidad (Hula) 1.343±0.06 g/cm3 Temp: 20 °C; Pindutin ang: 760 Torr
pKa (Hula) 9.39±0.10 Pinakamaasim na Temp: 25 °C

Iba pang Pangalan at Identifier

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
Susi ng InChI
PCFSNQYXXACUHM-YULOIDQLSA-N
4 Iba pang Pangalan para sa Substansyang ito
5′-O-[Bis(4-methoxyphenyl)phenylmethyl]uridine (ACI); Uridine, 5′-O-[α,α-bis(p-methoxyphenyl)benzyl]- (7CI); 5′-Dimethoxytriyl uridine; 5′-O-(4,4′-Dimethoxytriyl)uridine

Mga Eksperimental na Katangian

Available ang mga property
Thermal

Thermal

Ari-arian Halaga Kundisyon

Pinagmulan

Punto ng Pagkatunaw 122-123 °C    

(1) CAS

Punto ng Pagkatunaw 111-112 °C Solvent: Ethyl acetate

(2) CAS

Punto ng Pagkatunaw Tingnan ang Buong Teksto    

(3) CAS

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

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

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

Eksperimental na Spectra

Available ang spectra
1H NMR
13C NMR
Ang misa

Mga Hinulaang Katangian

Available ang mga property
Biyolohikal
Kemikal
Densidad
Lipinski
Kaugnay na Istruktura

Biyolohikal

Ari-arian Halaga Kundisyon Pinagmulan
Salik ng Bioconcentration 904 pH 1; Temp: 25 °C (1) ACD
Salik ng Bioconcentration 904 pH 2; Temp: 25 °C (1) ACD
Salik ng Bioconcentration 904 pH 3; Temp: 25 °C (1) ACD
Salik ng Bioconcentration 904 pH 4; Temp: 25 °C (1) ACD
Salik ng Bioconcentration 904 pH 5; Temp: 25 °C (1) ACD
Salik ng Bioconcentration 904 pH 6; Temp: 25 °C (1) ACD
Salik ng Bioconcentration 900 pH 7; Temp: 25 °C (1) ACD
Salik ng Bioconcentration 861 pH 8; Temp: 25 °C (1) ACD
Salik ng Bioconcentration 602 pH 9; Temp: 25 °C (1) ACD

 

Ari-arian Halaga Kundisyon Pinagmulan
Salik ng Bioconcentration 156 pH 10; Temp: 25 °C (1) ACD

(1) Kinakalkula gamit ang Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Kemikal

Ari-arian Halaga Kundisyon Pinagmulan
Sinabi ni Koc 4550 pH 1; Temp: 25 °C (1) ACD
Sinabi ni Koc 4550 pH 2; Temp: 25 °C (1) ACD
Sinabi ni Koc 4550 pH 3; Temp: 25 °C (1) ACD
Sinabi ni Koc 4550 pH 4; Temp: 25 °C (1) ACD
Sinabi ni Koc 4550 pH 5; Temp: 25 °C (1) ACD
Sinabi ni Koc 4540 pH 6; Temp: 25 °C (1) ACD
Sinabi ni Koc 4520 pH 7; Temp: 25 °C (1) ACD
Sinabi ni Koc 4330 pH 8; Temp: 25 °C (1) ACD
Sinabi ni Koc 3030 pH 9; Temp: 25 °C (1) ACD
Sinabi ni Koc 785 pH 10; Temp: 25 °C (1) ACD
logD 4.19 pH 1; Temp: 25 °C (1) ACD
logD 4.19 pH 2; Temp: 25 °C (1) ACD
logD 4.19 pH 3; Temp: 25 °C (1) ACD
logD 4.19 pH 4; Temp: 25 °C (1) ACD
logD 4.19 pH 5; Temp: 25 °C (1) ACD
logD 4.19 pH 6; Temp: 25 °C (1) ACD
logD 4.19 pH 7; Temp: 25 °C (1) ACD
logD 4.17 pH 8; Temp: 25 °C (1) ACD
logD 4.02 pH 9; Temp: 25 °C (1) ACD
logD 3.43 pH 10; Temp: 25 °C (1) ACD
logP 4.192±0.628 Temp: 25 °C (1) ACD
Mass Intrinsic Solubility 3.2 x 10-4 g/L Temp: 25 °C (1) ACD
Mass Solubility 3.2 x 10-4 g/L pH 1; Temp: 25 °C (1) ACD
Mass Solubility 3.2 x 10-4 g/L pH 2; Temp: 25 °C (1) ACD
Mass Solubility 3.2 x 10-4 g/L pH 3; Temp: 25 °C (1) ACD
Mass Solubility 3.2 x 10-4 g/L pH 4; Temp: 25 °C (1) ACD
Mass Solubility 3.2 x 10-4 g/L pH 5; Temp: 25 °C (1) ACD
Mass Solubility 3.2 x 10-4 g/L pH 6; Temp: 25 °C (1) ACD
Mass Solubility 3.2 x 10-4 g/L pH 7; Temp: 25 °C (1) ACD

 

Ari-arian Halaga Kundisyon Pinagmulan
Mass Solubility 3.3 x 10-4 g/L pH 8; Temp: 25 °C (1) ACD
Mass Solubility 4.8 x 10-4 g/L pH 9; Temp: 25 °C (1) ACD
Mass Solubility 1.9 x 10-3 g/L pH 10; Temp: 25 °C (1) ACD
Mass Solubility 3.2 x 10-4 g/L Unbuffered Water pH 6.99; Temp: 25 °C (1) ACD
Molar Intrinsic Solubility 5.8 x 10-7 mol/L Temp: 25 °C (1) ACD
Molar Solubility 5.8 x 10-7 mol/L pH 1; Temp: 25 °C (1) ACD
Molar Solubility 5.8 x 10-7 mol/L pH 2; Temp: 25 °C (1) ACD
Molar Solubility 5.8 x 10-7 mol/L pH 3; Temp: 25 °C (1) ACD
Molar Solubility 5.8 x 10-7 mol/L pH 4; Temp: 25 °C (1) ACD
Molar Solubility 5.8 x 10-7 mol/L pH 5; Temp: 25 °C (1) ACD
Molar Solubility 5.8 x 10-7 mol/L pH 6; Temp: 25 °C (1) ACD
Molar Solubility 5.8 x 10-7 mol/L pH 7; Temp: 25 °C (1) ACD
Molar Solubility 6.1 x 10-7 mol/L pH 8; Temp: 25 °C (1) ACD
Molar Solubility 8.7 x 10-7 mol/L pH 9; Temp: 25 °C (1) ACD
Molar Solubility 3.4 x 10-6 mol/L pH 10; Temp: 25 °C (1) ACD
Molar Solubility 5.8 x 10-7 mol/L Unbuffered Water pH 6.99; Temp: 25 °C (1) ACD
Molekular na Timbang 546.57    
pKa 9.39±0.10 Pinakamaasim na Temp: 25 °C (1) ACD

(1) Kinakalkula gamit ang Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Densidad

Ari-arian Halaga Kundisyon Pinagmulan
Densidad 1.343±0.06 g/cm3 Temp: 20 °C; Pindutin ang: 760 Torr (1) ACD
Dami ng Molar 406.9±3.0 cm3/mol Temp: 20 °C; Pindutin ang: 760 Torr (1) ACD

(1) Kinakalkula gamit ang Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Lipinski

Ari-arian Halaga Kundisyon Pinagmulan
Mga Malayang Naiikot na Bono 11   (1) ACD
H Mga Tatanggap 10   (1) ACD
H Mga Donor 3   (1) ACD
H Donor/Acceptor Sum 13   (1) ACD
logP 4.192±0.628 Temp: 25 °C (1) ACD
 

 

Ari-arian Halaga

Kundisyon

Pinagmulan
Molekular na Timbang 546.57

(1) Kinakalkula gamit ang Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Kaugnay na Istruktura

Ari-arian Halaga

Kundisyon

Pinagmulan
Polar Surface Area 127 A2 (1) ACD

(1) Kinakalkula gamit ang Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Hinulaang Spectra

Available ang spectra
1H NMR
13C NMR


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