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Chemical ID: 5052279
Chemical ID:
5052279
Name [?]:
2-(hydroxymethyl)-5-(6-sulfanylpurin-9-yl)-tetrahydrofuran-3-ol
SMILES [?]:
c1nc2c(c(n1)S)ncn2C3CC(C(O3)CO)O
InChi [?]:
InChI=1/C10H12N4O3S/c15-2-6-5(16)1-7(17-6)14-4-13-8-9(14)11-3-12-10(8)18/h3-7,15-16H,1-2H2,(H,11,12,18)
InChi Info:
AuxInfo=1/1/N:12,16,1,9,13,14,11,4,3,5,2,6,8,10,17,18,15,7/rA:18cCNCCCNSNCNCCCCOCOO/rB:s1;d2;s3;d4;d1s5;s5;s4;d8;s3s9;s10;s11;s12;s13;s11s14;s14;s16;s13;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H12N4O3S |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 5.74434 |
Area: | 435.84 |
Solvation: | -5.15167 |
Coulombic: | -65.7199 |
Bond Count [?]
All: | 20 |
Single: | 16 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 268.293 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | -0.26 |
LogP (Chemaxon): | 0.37 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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