C40H49N4O9P Uridine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-methyl-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite] (ACI)

produkto

C40H49N4O9P Uridine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-methyl-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite] (ACI)

Panguna nga Impormasyon:


Detalye sa Produkto

Mga Tag sa Produkto

Detalye sa Substansya

Numero sa Rehistro sa CAS

110764-79-9

H335, H331, H319, H315, H311, H301+H311+H331, H301

Pangunang Pisikal nga mga Kinaiya Bili   kahimtang
Molekular nga Timbang 760.81   -
pKa (Gitagna) 9.39±0.10   Labing Acid nga Temp: 25 °C

Ubang Ngalan ug Identifier

Canonical SMILES

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)[C@@ 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

Yawe sa InChI

UVUOJOLPNDCIHL-XKZJCBTISA-N

1 Ubang Ngalan alang niini nga Substansya

Uridine, 5′-O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-methyl-, 3′ - [2-cyanoethyl bis(1-methylethyl)phosphoramidi] (9CI)

Magamit ang spectra

Misa

Gitagna nga mga kabtangan

Mga kabtangan nga magamit
Biyolohikal
Kemikal
Lipinski
May Kalabutan sa Istruktura

Biyolohikal

Property Bili kahimtang Tinubdan
Bioconcentration Factor 254 pH 1; Temperatura: 25 °C (1) ACD
Bioconcentration Factor 2050 pH 2; Temperatura: 25 °C (1) ACD
Bioconcentration Factor 15400 pH 3; Temperatura: 25 °C (1) ACD
Bioconcentration Factor 46000 pH 4; Temperatura: 25 °C (1) ACD
Bioconcentration Factor 57500 pH 5; Temperatura: 25 °C (1) ACD
Bioconcentration Factor 58900 pH 6; Temperatura: 25 °C (1) ACD
Bioconcentration Factor 58900 pH 7; Temperatura: 25 °C (1) ACD
Bioconcentration Factor 56800 pH 8; Temperatura: 25 °C (1) ACD
Bioconcentration Factor 42300 pH 9; Temperatura: 25 °C (1) ACD
Bioconcentration Factor 12200 pH 10; Temperatura: 25 °C (1) ACD

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

Kemikal

Property Bili kahimtang Tinubdan
Si Koc 389 pH 1; Temperatura: 25 °C (1) ACD
Si Koc 3140 pH 2; Temperatura: 25 °C (1) ACD
Si Koc 23600 pH 3; Temperatura: 25 °C (1) ACD
Si Koc 70500 pH 4; Temperatura: 25 °C (1) ACD
Si Koc 88100 pH 5; Temperatura: 25 °C (1) ACD
Si Koc 90300 pH 6; Temperatura: 25 °C (1) ACD
Si Koc 90200 pH 7; Temperatura: 25 °C (1) ACD
Si Koc 87100 pH 8; Temperatura: 25 °C (1) ACD
Si Koc 64800 pH 9; Temperatura: 25 °C (1) ACD
Si Koc 18700 pH 10; Temperatura: 25 °C (1) ACD

 

Property Bili kahimtang Tinubdan
logD 4.21 pH 1; Temperatura: 25 °C (1) ACD
logD 5.12 pH 2; Temperatura: 25 °C (1) ACD
logD 6.00 pH 3; Temperatura: 25 °C (1) ACD
logD 6.47 pH 4; Temperatura: 25 °C (1) ACD
logD 6.57 pH 5; Temperatura: 25 °C (1) ACD
logD 6.58 pH 6; Temperatura: 25 °C (1) ACD
logD 6.58 pH 7; Temperatura: 25 °C (1) ACD
logD 6.56 pH 8; Temperatura: 25 °C (1) ACD
logD 6.44 pH 9; Temperatura: 25 °C (1) ACD
logD 5.90 pH 10; Temperatura: 25 °C (1) ACD
logP 6.581±0.646 Temperatura: 25 °C (1) ACD
Mass Intrinsic Solubility 8.4 x 10-5 g/L Temperatura: 25 °C (1) ACD
Mass Solubility 0.019 g/L pH 1; Temperatura: 25 °C (1) ACD
Mass Solubility 2.4 x 10-3 g/L pH 2; Temperatura: 25 °C (1) ACD
Mass Solubility 3.1 x 10-4 g/L pH 3; Temperatura: 25 °C (1) ACD
Mass Solubility 1.1 x 10-4 g/L pH 4; Temperatura: 25 °C (1) ACD
Mass Solubility 8.4 x 10-5 g/L pH 5; Temperatura: 25 °C (1) ACD
Mass Solubility 8.4 x 10-5 g/L pH 6; Temperatura: 25 °C (1) ACD
Mass Solubility 8.4 x 10-5 g/L pH 7; Temperatura: 25 °C (1) ACD
Mass Solubility 8.4 x 10-5 g/L pH 8; Temperatura: 25 °C (1) ACD
Mass Solubility 1.1 x 10-4 g/L pH 9; Temperatura: 25 °C (1) ACD
Mass Solubility 4.0 x 10-4 g/L pH 10; Temperatura: 25 °C (1) ACD
Mass Solubility 8.4 x 10-5 g/L Walay Buffered nga Tubig pH 7.00; Temperatura: 25 °C (1) ACD
Molar Intrinsic Solubility 1.1 x 10-7 mol/L Temperatura: 25 °C (1) ACD
Molar Solubility 2.5 x 10-5 mol/L pH 1; Temperatura: 25 °C (1) ACD
Molar Solubility 3.1 x 10-6 mol/L pH 2; Temperatura: 25 °C (1) ACD
Molar Solubility 4.1 x 10-7 mol/L pH 3; Temperatura: 25 °C (1) ACD
Molar Solubility 1.4 x 10-7 mol/L pH 4; Temperatura: 25 °C (1) ACD
Molar Solubility 1.1 x 10-7 mol/L pH 5; Temperatura: 25 °C (1) ACD
Molar Solubility 1.1 x 10-7 mol/L pH 6; Temperatura: 25 °C (1) ACD
Molar Solubility 1.1 x 10-7 mol/L pH 7; Temperatura: 25 °C (1) ACD
Molar Solubility 1.1 x 10-7 mol/L pH 8; Temperatura: 25 °C (1) ACD

 

Property Bili kahimtang Tinubdan
Molar Solubility 1.5 x 10-7 mol/L pH 9; Temperatura: 25 °C (1) ACD
Molar Solubility 5.2 x 10-7 mol/L pH 10; Temperatura: 25 °C (1) ACD
Molar Solubility 1.1 x 10-7 mol/L Walay Buffered nga Tubig pH 7.00; Temperatura: 25 °C (1) ACD
Molekular nga Timbang 760.81    
pKa 9.39±0.10 Labing Acid nga Temp: 25 °C (1) ACD
pKa 3.45±0.70 Labing sukaranan nga Temp: 25 °C (1) ACD

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

Lipinski

Property Bili kahimtang Tinubdan
Libre nga Rotatable Bonds 18   (1) ACD
H Mga tigdawat 13   (1) ACD
H Mga Donor 1   (1) ACD
H Donor/Acceptor Sum 14   (1) ACD
logP 6.581±0.646 Temperatura: 25 °C (1) ACD
Molekular nga Timbang 760.81    

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

May Kalabutan sa Istruktura

Property Bili Tinubdan sa Kondisyon
Polar Surface Area 155 A2 (1) ACD

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

Gitagna nga Spectra

Magamit ang spectra
1 H NMR
13 C NMR

Mga Pahayag sa Hazard sa GHS

Kodigo Pahayag sa Hazard Tinubdan
H335 Mahimong hinungdan sa respiratory irritation Expert Curated
H331 Toxic kung mahawa Expert Curated
H319 Nagpahinabog grabeng iritasyon sa mata Expert Curated
H315 Nagpahinabog iritasyon sa panit Expert Curated

 

Kodigo Pahayag sa Hazard Tinubdan
H311 Toxic sa kontak sa panit Expert Curated
H301+H311+H331 Makahilo kon matulon, makontak sa panit o sa inhaled Expert Curated
H301 Toxic kon matulon Expert Curated

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