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Chemical ID: 6692365
Chemical ID:
6692365
Name [?]:
2-(4-aminophenoxy)-6-methyl-tetrahydropyran-3,4,5-triol
SMILES [?]:
CC1C(C(C(C(O1)Oc2ccc(cc2)N)O)O)O
InChi [?]:
InChI=1/C12H17NO5/c1-6-9(14)10(15)11(16)12(17-6)18-8-4-2-7(13)3-5-8/h2-6,9-12,14-16H,13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,11,13,10,14,2,12,9,3,4,5,6,15,18,17,16,7,8/E:(2,3)(4,5)/rA:18cCCCCCCOOCCCCCCNOOO/rB:s1;s2;s3;s4;s5;s2s6;s6;s8;s9;d10;s11;d12;d9s13;s12;s5;s4;s3;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H17NO5 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 5 |
ZAP Information [?]
Total: | 3.61016 |
Area: | 416.132 |
Solvation: | -6.79316 |
Coulombic: | -82.194 |
Bond Count [?]
All: | 19 |
Single: | 16 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 255.267 |
H-Bond Donors: | 5 |
H-Bond Acceptors: | 6 |
XLogP: | -0.02 |
LogP (Chemaxon): | 0.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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