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Chemical ID: 6693475
Chemical ID:
6693475
Name [?]:
3,4,5-trihydroxy-6-(1H-indol-3-yloxy)tetrahydropyran-2-carboxylic acid
SMILES [?]:
c1ccc2c(c1)c(c[nH]2)OC3C(C(C(C(O3)C(=O)O)O)O)O
InChi [?]:
InChI=1/C14H15NO7/c16-9-10(17)12(13(19)20)22-14(11(9)18)21-8-5-15-7-4-2-1-3-6(7)8/h1-5,9-12,14-18H,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,8,5,4,7,13,14,12,15,17,11,9,21,20,22,18,19,10,16/E:(19,20)/rA:22cCCCCCCCCNOCCCCCOCOOOOO/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s7;s10;s11;s12;s13;s14;s11s15;s15;d17;s17;s14;s13;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H15NO7 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 5 |
ZAP Information [?]
Total: | 4.47489 |
Area: | 465.274 |
Solvation: | -7.15697 |
Coulombic: | -105.375 |
Bond Count [?]
All: | 24 |
Single: | 19 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 309.271 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 7 |
XLogP: | 0.73 |
LogP (Chemaxon): | 0.81 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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