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Molecule
Uridine, 5′-O-[Bis(4-Methoxyphenyl)Phenylmethyl]-2′-O-Methyl-, 3′-[2-Cyanoethyl N,N-Bis(1-Methylethyl)Phosphoramidite]
CAS: 110764-79-9 · C40H49N4O9P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 110764-79-9
- Molecular Formula
- C40H49N4O9P
- Molecular Mass
- 760.83 g/mol
Identifiers
CAS Registry Number
110764-79-9
SMILES
COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(O)nc3=O)[C@H](OC)[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1
InChI Key
UVUOJOLPNDCIHL-XKZJCBTISA-N
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(29-12-9-8-10-13-29,30-14-18-32(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
Names and Synonyms
- Uridine, 5′-O-[Bis(4-Methoxyphenyl)Phenylmethyl]-2′-O-Methyl-, 3′-[2-Cyanoethyl N,N-Bis(1-Methylethyl)Phosphoramidite] Systematic Name
- Uridine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-methyl-, 3′-[2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite] Synonym
- Uridine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-methyl-, 3′-[2-cyanoethyl bis(1-methylethyl)phosphoramidite] Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 760.83 g/mol | CAS Common Chemistry |
| 760.8250000000003 g/mol | RDKit | |
| 760.825 g/mol | RDKit | |
| 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 | CAS Common Chemistry |
| 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(29-12-9-8-10-13-29,30-14-18-32(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 | CAS Common Chemistry |
| InChI Key | InChIKey=UVUOJOLPNDCIHL-XKZJCBTISA-N | CAS Common Chemistry |
| Name | Uridine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-methyl-, 3′-[2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite] | CAS Common Chemistry |
| Heavy Atom Count | 54 | RDKit |
| Hydrogen Bond Acceptors | 13 | RDKit |
| 12 | RDKit | |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 18 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 146.76000000000002 Ų | RDKit |
| 146.76 Ų | RDKit | |
| 154.87 Ų | chempirical lib | |
| LogP | 6.548380000000008 | RDKit |
| 6.5484 | RDKit | |
| 6.28 | chempirical lib | |
| Molar Refractivity | 203.21879999999933 cm³/mol | RDKit |
| Ring Count | 5 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.425 | RDKit |
| 0.42 | chempirical lib | |
| Exact Mass | 760.3237157780001 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 760.83 g/mol. Edit any field — others recompute live.
