Chemical ID: 4259141

c1[nH]c2c(c(=O)n1)ncn2C3C(C(C(O3)CO)O)O
Chemical ID:
4259141
Name [?]:
9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purin-6-one
SMILES [?]:
c1[nH]c2c(c(=O)n1)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:16,1,9,14,4,13,12,3,5,11,2,7,8,10,17,18,19,6,15/rA:19cCNCCCONNCNCCCCOCOOO/rB:s1;s2;d3;s4;d5;d1s5;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:3.34341
Area:424.141
Solvation:-7.26011
Coulombic:-96.3539
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:-1.2
LogP (Chemaxon):-1.18

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