![C43H55N4O10P Uridine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-(2-methox yethyl)- 5-methyl-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl)phosphor amidite] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C43H55N4O10P Uridine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-(2-methox yethyl)- 5-methyl-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl)phosphor amidite] (ACI) Featured Image](https://www.csnvchem.com/uploads/C43H55N4O10P-Uridine.png)
C43H55N4O10P Uridine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-(2-methox yethyl)- 5-methyl-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl)phosphor amidite] (ACI)
CAS Registry Number
163878-63-5
H302
| Key Physical Properties | Value | Condition |
| Molecular Weight | 818.89 | - |
| pKa (Predicted) | 9.55±0.10 | Most Acidic Temp: 25 °C |
Canonical SMILES
N#CCCOP(OC1C(OC(N2C=C(C(=O)NC2=O)C)C1OCCOC)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](OCCOC)[C@@H](O1)N2C(=O)NC(=O)C(C)=C2)(C3=CC=C(OC)C=C3)(C4=CC =C(OC)C=C4)C5=CC=CC=C5
InChI
InChI= 1S/C43H55N4O10P/c1-29(2)47(30(3)4)58(55-24-12-23-44)57-38-37(56-41(39(38)53-26-25-50-6)46-27-31(5)40(48)45-42(46)49)2 8-54-43(32-13-10-9-11-14-32,33-15-19-35(51-7)20-16-33)34-17-21-36(52-8)22-18-34/h9-11,13-22,27,29-30,37-39,41H,12,24-26,28H2, 1-8H3,(H,45,48,49)/t37-,38-,39-,41-,58?/m1/s1
InChI Key
YFRRKZDUDXHJNC-KZQAAKLLSA-N
17 Other Names for this Substance
Uridine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-(2-methoxyethyl)- 5-methyl-, 3′ - [2-cyanoethyl bis(1-methylethyl)phosphor
amidite] (9CI); 10: PN: US20030212017 PAGE: 18 claimed RNA; 11: PN: US20030211606 PAGE: 18 claimed RNA; 13: PN: US20040
005569 PAGE: 21 claimed RNA; 13: PN: US20040006030 PAGE: 22 claimed RNA; 13: PN: US20040014048 PAGE: 19 claimed RNA; 13: PN: US20040014049 PAGE: 19 claimed RNA; 14: PN: US20030198965 PAGE: 19 claimed RNA; 14: PN: US20040005565 PAGE: 17- 22 claimed RNA; 14: PN: US20040005570 PAGE: 19 claimed RNA; 14: PN: US20040014047 PAGE: 19 claimed RNA; 14: PN: US20040
014699 PAGE: 19 claimed RNA; 15: PN: US20040014050 PAGE: 19 claimed RNA; 15: PN: US20040014051 PAGE: 21 claimed RNA; 15:
PN: WO03106645 PAGE: 69 claimed RNA; 16: PN: US20040006029 PAGE: 22 claimed RNA; 87: PN: US20040005707 PAGE: 19 claimed RNA
Spectra available
1 H NMR
13 C NMR
Hetero NMR
Properties available
Biological
Chemical
Lipinski
Structure Related
| Property | Value | Condition | Source |
| Bioconcentration Factor | 348 | pH 1; Temp: 25 °C | (1) ACD |
| Bioconcentration Factor | 2810 | pH 2; Temp: 25 °C | (1) ACD |
| Bioconcentration Factor | 21100 | pH 3; Temp: 25 °C | (1) ACD |
| Bioconcentration Factor | 63100 | pH 4; Temp: 25 °C | (1) ACD |
| Bioconcentration Factor | 78800 | pH 5; Temp: 25 °C | (1) ACD |
| Bioconcentration Factor | 80800 | pH 6; Temp: 25 °C | (1) ACD |
| Bioconcentration Factor | 80800 | pH 7; Temp: 25 °C | (1) ACD |
| Bioconcentration Factor | 78800 | pH 8; Temp: 25 °C | (1) ACD |
| Bioconcentration Factor | 63400 | pH 9; Temp: 25 °C | (1) ACD |
| Bioconcentration Factor | 21800 | pH 10; Temp: 25 °C | (1) ACD |
(1) Calculated using Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Property | Value | Condition | Source |
| Koc | 487 | pH 1; Temp: 25 °C | (1) ACD |
| Koc | 3940 | pH 2; Temp: 25 °C | (1) ACD |
| Koc | 29600 | pH 3; Temp: 25 °C | (1) ACD |
| Koc | 88400 | pH 4; Temp: 25 °C | (1) ACD |
| Property | Value | Condition | Source |
| Koc | 1.10 x 105 | pH 5; Temp: 25 °C | (1) ACD |
| Koc | 1.13 x 105 | pH 6; Temp: 25 °C | (1) ACD |
| Koc | 1.13 x 105 | pH 7; Temp: 25 °C | (1) ACD |
| Koc | 1.10 x 105 | pH 8; Temp: 25 °C | (1) ACD |
| Koc | 88800 | pH 9; Temp: 25 °C | (1) ACD |
| Koc | 30600 | pH 10; Temp: 25 °C | (1) ACD |
| logD | 4.39 | pH 1; Temp: 25 °C | (1) ACD |
| logD | 5.30 | pH 2; Temp: 25 °C | (1) ACD |
| logD | 6.18 | pH 3; Temp: 25 °C | (1) ACD |
| logD | 6.65 | pH 4; Temp: 25 °C | (1) ACD |
| logD | 6.75 | pH 5; Temp: 25 °C | (1) ACD |
| logD | 6.76 | pH 6; Temp: 25 °C | (1) ACD |
| logD | 6.76 | pH 7; Temp: 25 °C | (1) ACD |
| logD | 6.75 | pH 8; Temp: 25 °C | (1) ACD |
| logD | 6.65 | pH 9; Temp: 25 °C | (1) ACD |
| logD | 6.19 | pH 10; Temp: 25 °C | (1) ACD |
| logP | 6.761±0.669 | Temp: 25 °C | (1) ACD |
| Mass Intrinsic Solubility | 2.0 x 10-4 g/L | Temp: 25 °C | (1) ACD |
| Mass Solubility | 0.046 g/L | pH 1; Temp: 25 °C | (1) ACD |
| Mass Solubility | 5.7 x 10-3 g/L | pH 2; Temp: 25 °C | (1) ACD |
| Mass Solubility | 7.6 x 10-4 g/L | pH 3; Temp: 25 °C | (1) ACD |
| Mass Solubility | 2.5 x 10-4 g/L | pH 4; Temp: 25 °C | (1) ACD |
| Mass Solubility | 2.0 x 10-4 g/L | pH 5; Temp: 25 °C | (1) ACD |
| Mass Solubility | 2.0 x 10-4 g/L | pH 6; Temp: 25 °C | (1) ACD |
| Mass Solubility | 2.0 x 10-4 g/L | pH 7; Temp: 25 °C | (1) ACD |
| Mass Solubility | 2.0 x 10-4 g/L | pH 8; Temp: 25 °C | (1) ACD |
| Mass Solubility | 2.5 x 10-4 g/L | pH 9; Temp: 25 °C | (1) ACD |
| Mass Solubility | 7.4 x 10-4 g/L | pH 10; Temp: 25 °C | (1) ACD |
| Mass Solubility | 2.0 x 10-4 g/L | Unbuffered Water pH 7.00; Temp: 25 °C | (1) ACD |
| Molar Intrinsic Solubility | 2.4 x 10-7 mol/L | Temp: 25 °C | (1) ACD |
| Molar Solubility | 5.6 x 10-5 mol/L | pH 1; Temp: 25 °C | (1) ACD |
| Molar Solubility | 7.0 x 10-6 mol/L | pH 2; Temp: 25 °C | (1) ACD |
| Property | Value | Condition | Source |
| Molar Solubility | 9.3 x 10-7 mol/L | pH 3; Temp: 25 °C | (1) ACD |
| Molar Solubility | 3.1 x 10-7 mol/L | pH 4; Temp: 25 °C | (1) ACD |
| Molar Solubility | 2.5 x 10-7 mol/L | pH 5; Temp: 25 °C | (1) ACD |
| Molar Solubility | 2.4 x 10-7 mol/L | pH 6; Temp: 25 °C | (1) ACD |
| Molar Solubility | 2.4 x 10-7 mol/L | pH 7; Temp: 25 °C | (1) ACD |
| Molar Solubility | 2.5 x 10-7 mol/L | pH 8; Temp: 25 °C | (1) ACD |
| Molar Solubility | 3.1 x 10-7 mol/L | pH 9; Temp: 25 °C | (1) ACD |
| Molar Solubility | 9.0 x 10-7 mol/L | pH 10; Temp: 25 °C | (1) ACD |
| Molar Solubility | 2.4 x 10-7 mol/L | Unbuffered Water pH 7.00; Temp: 25 °C | (1) ACD |
| Molecular Weight | 818.89 | ||
| pKa | 9.55±0.10 | Most Acidic Temp: 25 °C | (1) ACD |
| pKa | 3.45±0.70 | Most Basic Temp: 25 °C | (1) ACD |
(1) Calculated using Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Property | Value | Condition | Source |
| Freely Rotatable Bonds | 21 | (1) ACD | |
| H Acceptors | 14 | (1) ACD | |
| H Donors | 1 | (1) ACD | |
| H Donor/Acceptor Sum | 15 | (1) ACD | |
| logP | 6.761±0.669 | Temp: 25 °C | (1) ACD |
| Molecular Weight | 818.89 |
(1) Calculated using Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Property | Value | Condition Source |
| Polar Surface Area | 164 A2 | (1) ACD |
(1) Calculated using Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra available
1 H NMR
13 C NMR
| Code Hazard Statement Source | |
| H302 Harmful if swallowed | European Chemical Agency (ECHA) Classification&Labelling
Inventory - Notified classification and labelling - most common notifications, European Chemical Agency (ECHA) Classification&Labelling Inventory - Notified classification and labelling - most serious notifications |
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