Chemical ID: 4942521

c1c2c3c4c(c(c(c(c4oc2=O)O)O)O)c(=O)oc3c(c1O)O
Chemical ID:
4942521
Name [?]:
None
SMILES [?]:
c1c2c3c4c(c(c(c(c4oc2=O)O)O)O)c(=O)oc3c(c1O)O
InChi [?]:
InChI=1/C14H6O9/c15-3-1-2-4-5-6(14(21)23-11(4)7(3)16)8(17)9(18)10(19)12(5)22-13(2)20/h1,15-19H
InChi Info:
AuxInfo=1/0/N:1,2,21,3,4,5,20,6,7,8,19,9,11,16,22,23,15,14,13,12,17,10,18/rA:23nCCCCCCCCCOCOOOOCOOCCCOO/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;s9;s2s10;d11;s8;s7;s6;s5;d16;s16;s3s18;d19;d1s20;s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H6O9
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:1.36269
Area:440.54
Solvation:-9.65081
Coulombic:-110.543
Bond Count [?]
All:26
Single:18
Double:8
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:318.192
H-Bond Donors:5
H-Bond Acceptors:7
XLogP:-0.57
LogP (Chemaxon):3.03

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Descriptor Annotations

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