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Fludarabine Phosphate
CAS: 75607-67-9 | C10H13FN5O7P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
75607-67-9
Molecular Formula:
C10H13FN5O7P
Molecular Mass:
365.21 g/mol
Names and Synonyms:
Fludarabine Phosphate
9H-Purin-6-amine, 2-fluoro-9-(5-O-phosphono-β-D-arabinofuranosyl)-
2-Fluoro-9-(5-O-phosphono-β-D-arabinofuranosyl)-9H-purin-6-amine
Fludarabine phosphate
NSC 312887
NSC 328002
Fludara
Fludarabine 5′-monophosphate
2-Fluoroadenine arabinoside 5′-monophosphate
FAMP
Fludura
2-F-ara-AMP
Fludarabine 5′-dihydrogen phosphate
Identifiers:
SMILES:
Nc1nc(F)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]1O
InChI:
InChI=1S/C10H13FN5O7P/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(18)5(17)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,17-18H,1H2,(H2,12,14,15)(H2,19,20,21)/t3-,5-,6+,9-/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 | 365.21 g/mol | CAS Common Chemistry |
| 365.21400000000006 g/mol | RDKit | |
| 365.0536626059999 g/mol | RDKit | |
| Canonical SMILES | O=P(O)(O)OCC1OC(N2C=NC=3C(=NC(F)=NC32)N)C(O)C1O | CAS Common Chemistry |
| InChI | InChI=1S/C10H13FN5O7P/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(18)5(17)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,17-18H,1H2,(H2,12,14,15)(H2,19,20,21)/t3-,5-,6+,9-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=GIUYCYHIANZCFB-FJFJXFQQSA-N | CAS Common Chemistry |
| Name | Fludarabine phosphate | CAS Common Chemistry |
| Heavy Atom Count | 24 | 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 | -1.7239000000000007 | RDKit |
| Molar Refractivity | 73.6131 | RDKit |
