Chemical ID: 5171962

c1c(c(=O)[nH]c(=O)o1)C2C(C(C(O2)CO)O)O
Chemical ID:
5171962
Name [?]:
5-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1,3-oxazine-2,4-dione
SMILES [?]:
c1c(c(=O)[nH]c(=O)o1)C2C(C(C(O2)CO)O)O
InChi [?]:
InChI=1/C9H11NO7/c11-1-4-5(12)6(13)7(17-4)3-2-16-9(15)10-8(3)14/h2,4-7,11-13H,1H2,(H,10,14,15)
InChi Info:
AuxInfo=1/1/N:14,1,2,12,11,10,9,3,6,5,15,16,17,4,7,8,13/rA:17cCCCONCOOCCCCOCOOO/rB:d1;s2;d3;s3;s5;d6;s1s6;s2;s9;s10;s11;s9s12;s12;s14;s11;s10;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H11NO7
All Atoms:17
Heavy Atoms:17
Chiral Atoms:4
ZAP Information [?]
Total:2.38778
Area:392.431
Solvation:-7.423
Coulombic:-96.7054
Bond Count [?]
All:18
Single:15
Double:3
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:245.186
H-Bond Donors:3
H-Bond Acceptors:6
XLogP:-2.2
LogP (Chemaxon):-1.56

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