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Chemical ID: 6692711
Chemical ID:
6692711
Name [?]:
[2-(4-amino-2-oxo-pyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl]oxyphosphonic acid
SMILES [?]:
c1cn(c(=O)nc1N)C2C(C(C(O2)CO)O)OP(=O)(O)O
InChi [?]:
InChI=1/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(20-21(16,17)18)6(14)4(3-13)19-8/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,14,12,7,11,10,9,4,8,6,3,15,16,5,19,20,21,13,17,18/E:(16,17,18)/rA:21cCCNCONCNCCCCOCOOOPOOO/rB:d1;s2;s3;d4;s4;s1d6;s7;s3;s9;s10;s11;s9s12;s12;s14;s11;s10;s17;d18;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H14N3O8P |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 4 |
ZAP Information [?]
Total: | 3.6001 |
Area: | 430.971 |
Solvation: | -7.17417 |
Coulombic: | -133.672 |
Bond Count [?]
All: | 22 |
Single: | 18 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 323.197 |
H-Bond Donors: | 6 |
H-Bond Acceptors: | 9 |
XLogP: | -4.2 |
LogP (Chemaxon): | -1.54 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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