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Vidarabine Phosphate
CAS: 29984-33-6 | C10H14N5O7P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
29984-33-6
Molecular Formula:
C10H14N5O7P
Molecular Mass:
347.22 g/mol
Names and Synonyms:
Vidarabine Phosphate
9H-Purin-6-amine, 9-(5-O-phosphono-β-D-arabinofuranosyl)-
Adenine, 9-β-D-arabinofuranosyl-, 5′-(dihydrogen phosphate)
9-(5-O-Phosphono-β-D-arabinofuranosyl)-9H-purin-6-amine
9-β-D-Arabinofuranosyladenine monophosphate
Adenine arabinonucleoside 5′-phosphate
5′-Arabinosyladenine monophosphate
D-Arabinosyladenine 5′-monophosphate
9-β-D-Arabinofuranosyladenine 5′-monophosphate
9-β-D-Arabinofuranosyladenine 5′-phosphate
9-β-D-Arabinofuranosyl AMP
Arabinosyladenine monophosphate
Adenine arabinoside monophosphate
Vidarabine monophosphate
Vidarabine-5′-monophosphate
ara-AMP
Adenine arabinoside 5′-monophosphate
Vidarabine phosphate
CI 808
NSC 127223
Identifiers:
SMILES:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]1O
InChI:
InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7+,10-/m1/s1
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 347.22 g/mol | CAS Common Chemistry |
| 347.224 g/mol | RDKit | |
| 347.0630844179999 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Vidarabine_phosphate | CAS Common Chemistry |
| Canonical SMILES | O=P(O)(O)OCC1OC(N2C=NC=3C(=NC=NC32)N)C(O)C1O | CAS Common Chemistry |
| InChI | InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7+,10-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=UDMBCSSLTHHNCD-UHTZMRCNSA-N | CAS Common Chemistry |
| Name | ara-AMP | CAS Common Chemistry |
| Vidarabine phosphate | CAS Common Chemistry | |
| Heavy Atom Count | 23 | RDKit |
| Hydrogen Bond Acceptors | 10 | RDKit |
| Hydrogen Bond Donors | 5 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 186.07 Ų | RDKit |
| LogP | -1.8630000000000009 | RDKit |
| Molar Refractivity | 73.6551 | RDKit |
