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Chemical ID: 4260187
Chemical ID:
4260187
Name [?]:
9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1H-purin-6-one
SMILES [?]:
c1[nH]c(=O)c2c(n1)n(cn2)C3C(C(C(O3)CO)O)O
InChi [?]:
InChI=1/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)
InChi Info:
AuxInfo=1/1/N:16,1,9,14,5,13,12,6,3,11,7,2,10,8,17,18,19,4,15/rA:19cCNCOCCNNCNCCCCOCOOO/rB:s1;s2;d3;s3;d5;d1s6;s6;s8;s5d9;s8;s11;s12;s13;s11s14;s14;s16;s13;s12;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H12N4O5 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 4 |
ZAP Information [?]
Total: | 3.09616 |
Area: | 423.296 |
Solvation: | -7.48624 |
Coulombic: | -95.5698 |
Bond Count [?]
All: | 21 |
Single: | 17 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 268.226 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | -2.16 |
LogP (Chemaxon): | -1.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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