Chemical ID: 5788881

c1cc(ccc1N(=O)=O)OC2C(C(C(CO2)O)O)O
Chemical ID:
5788881
Name [?]:
2-(4-nitrophenoxy)tetrahydropyran-3,4,5-triol
SMILES [?]:
c1cc(ccc1N(=O)=O)OC2C(C(C(CO2)O)O)O
InChi [?]:
InChI=1/C11H13NO7/c13-8-5-18-11(10(15)9(8)14)19-7-3-1-6(2-4-7)12(16)17/h1-4,8-11,13-15H,5H2
InChi Info:
AuxInfo=1/0/N:1,5,2,4,15,6,3,14,13,12,11,7,17,18,19,8,9,16,10/E:(1,2)(3,4)(16,17)/CRV:12.5/rA:19cCCCCCCNOOOCCCCCOOOO/rB:s1;d2;s3;d4;d1s5;s6;d7;d7;s3;s10;s11;s12;s13;s14;s11s15;s14;s13;s12;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H13NO7
All Atoms:19
Heavy Atoms:19
Chiral Atoms:4
ZAP Information [?]
Total:0.342553
Area:433.759
Solvation:-10.5014
Coulombic:-79.3214
Bond Count [?]
All:20
Single:15
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:271.223
H-Bond Donors:3
H-Bond Acceptors:8
XLogP:0.23
LogP (Chemaxon):0.62

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