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Chemical ID: 6693474
Chemical ID:
6693474
Name [?]:
[4-hydroxy-2-(hydroxymethyl)-5-(6-oxo-3H-purin-9-yl)-tetrahydrofuran-3-yl]oxyphosphonic acid
SMILES [?]:
c1[nH]c2c(c(=O)n1)ncn2C3C(C(C(O3)CO)OP(=O)(O)O)O
InChi [?]:
InChI=1/C10H13N4O8P/c15-1-4-7(22-23(18,19)20)6(16)10(21-4)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20)
InChi Info:
AuxInfo=1/1/N:16,1,9,14,4,12,13,3,5,11,2,7,8,10,17,23,6,20,21,22,15,18,19/E:(18,19,20)/rA:23cCNCCCONNCNCCCCOCOOPOOOO/rB:s1;s2;d3;s4;d5;d1s5;s4;d8;s3s9;s10;s11;s12;s13;s11s14;s14;s16;s13;s18;d19;s19;s19;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H13N4O8P |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 4 |
ZAP Information [?]
Total: | 4.1041 |
Area: | 495.834 |
Solvation: | -8.29176 |
Coulombic: | -131.364 |
Bond Count [?]
All: | 25 |
Single: | 20 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 348.206 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 8 |
XLogP: | -3.07 |
LogP (Chemaxon): | -3.98 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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