![C40H49N4O9P Uridine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-methyl-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C40H49N4O9P Uridine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-methyl-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite] (ACI) Featured Image](https://www.csnvchem.com/uploads/C40H49N4O9P-Uridine.png)
C40H49N4O9P Uridine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-methyl-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite] (ACI)
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 |
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) 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)42-35(45)42-69 2-9-8-10-13-29,30-14-18-32(47-5)19-15-30)31-16-20-33(48-6)21-17-31/h8-10,12-22,24,27-28,34,27-28,34,27-28,34,36-38,25
(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
Mga kabtangan nga magamit
Biyolohikal
Kemikal
Lipinski
May Kalabutan sa Istruktura
| 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)
| 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 |
| Pagkamatunaw sa Molar | 2.5 x 10-5 mol/L | pH 1; Temperatura: 25 °C | (1) ACD |
| Pagkamatunaw sa Molar | 3.1 x 10-6 mol/L | pH 2; Temperatura: 25 °C | (1) ACD |
| Pagkamatunaw sa Molar | 4.1 x 10-7 mol/L | pH 3; Temperatura: 25 °C | (1) ACD |
| Pagkamatunaw sa Molar | 1.4 x 10-7 mol/L | pH 4; Temperatura: 25 °C | (1) ACD |
| Pagkamatunaw sa Molar | 1.1 x 10-7 mol/L | pH 5; Temperatura: 25 °C | (1) ACD |
| Pagkamatunaw sa Molar | 1.1 x 10-7 mol/L | pH 6; Temperatura: 25 °C | (1) ACD |
| Pagkamatunaw sa Molar | 1.1 x 10-7 mol/L | pH 7; Temperatura: 25 °C | (1) ACD |
| Pagkamatunaw sa Molar | 1.1 x 10-7 mol/L | pH 8; Temperatura: 25 °C | (1) ACD |
| Property | Bili | kahimtang | Tinubdan |
| Pagkamatunaw sa Molar | 1.5 x 10-7 mol/L | pH 9; Temperatura: 25 °C | (1) ACD |
| Pagkamatunaw sa Molar | 5.2 x 10-7 mol/L | pH 10; Temperatura: 25 °C | (1) ACD |
| Pagkamatunaw sa Molar | 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)
| 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)
| 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)
Magamit ang spectra
1 H NMR
13 C NMR
| 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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