Chemical ID: 5052279

c1nc2c(c(n1)S)ncn2C3CC(C(O3)CO)O
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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Descriptor Annotations

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