Chemical ID: 4258973

c1c(=O)[nH]c(=O)n(n1)C2C(C(C(O2)CO)O)O
Chemical ID:
4258973
Name [?]:
2-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1,2,4-triazine-3,5-dione
SMILES [?]:
c1c(=O)[nH]c(=O)n(n1)C2C(C(C(O2)CO)O)O
InChi [?]:
InChI=1/C8H11N3O6/c12-2-3-5(14)6(15)7(17-3)11-8(16)10-4(13)1-9-11/h1,3,5-7,12,14-15H,2H2,(H,10,13,16)
InChi Info:
AuxInfo=1/1/N:1,14,12,2,11,10,9,5,8,4,7,15,3,16,17,6,13/rA:17cCCONCONNCCCCOCOOO/rB:s1;d2;s2;s4;d5;s5;d1s7;s7;s9;s10;s11;s9s12;s12;s14;s11;s10;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H11N3O6
All Atoms:17
Heavy Atoms:17
Chiral Atoms:4
ZAP Information [?]
Total:3.26777
Area:400.816
Solvation:-6.75263
Coulombic:-96.2153
Bond Count [?]
All:18
Single:15
Double:3
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:245.19
H-Bond Donors:3
H-Bond Acceptors:6
XLogP:-2.16
LogP (Chemaxon):-2.11

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Descriptor Annotations

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