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Molecule
Vidarabine Phosphate
CAS: 29984-33-6 · C10H14N5O7P
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 29984-33-6
- Molecular Formula
- C10H14N5O7P
- Molecular Mass
- 347.22 g/mol
Identifiers
CAS Registry Number
29984-33-6
SMILES
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]1O
InChI Key
UDMBCSSLTHHNCD-UHTZMRCNSA-N
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
Names and Synonyms
- Vidarabine Phosphate Synonym
- 9H-Purin-6-amine, 9-(5-O-phosphono-β-D-arabinofuranosyl)- Synonym
- Adenine, 9-β-D-arabinofuranosyl-, 5′-(dihydrogen phosphate) Synonym
- 9-(5-O-Phosphono-β-D-arabinofuranosyl)-9H-purin-6-amine Synonym
- 9-β-D-Arabinofuranosyladenine monophosphate Synonym
- Adenine arabinonucleoside 5′-phosphate Synonym
- 5′-Arabinosyladenine monophosphate Synonym
- D-Arabinosyladenine 5′-monophosphate Synonym
- 9-β-D-Arabinofuranosyladenine 5′-monophosphate Synonym
- 9-β-D-Arabinofuranosyladenine 5′-phosphate Synonym
- 9-β-D-Arabinofuranosyl AMP Synonym
- Arabinosyladenine monophosphate Synonym
- Adenine arabinoside monophosphate Synonym
- Vidarabine monophosphate Synonym
- Vidarabine-5′-monophosphate Synonym
- ara-AMP Synonym
- Adenine arabinoside 5′-monophosphate Synonym
- Vidarabine phosphate Synonym
- CI 808 Synonym
- NSC 127223 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 347.22 g/mol | CAS Common Chemistry |
| 347.224 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 |
| 9 | RDKit | |
| Hydrogen Bond Donors | 5 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 186.07 Ų | RDKit |
| 196.15 Ų | chempirical lib | |
| LogP | -1.8630000000000009 | RDKit |
| -1.863 | RDKit | |
| Molar Refractivity | 73.6551 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 347.0630844179999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
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| 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.
External Resources
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MW = 347.22 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H14N5O7P.
