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Chemical ID: 3967029
Chemical ID:
3967029
Name [?]:
2-(hydroxymethyl)-5-(6-hydroxypurin-9-yl)-tetrahydrofuran-3,4-diol
SMILES [?]:
c1nc2c(c(n1)O)ncn2C3C(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:16,1,9,14,4,13,12,3,5,11,2,6,8,10,17,18,19,7,15/rA:19cCNCCCNONCNCCCCOCOOO/rB:s1;d2;s3;d4;d1s5;s5;s4;d8;s3s9;s10;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: | 3.055 |
Area: | 425.289 |
Solvation: | -7.57722 |
Coulombic: | -97.0279 |
Bond Count [?]
All: | 21 |
Single: | 17 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 268.226 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 5 |
XLogP: | -1.22 |
LogP (Chemaxon): | -0.62 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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