Chemical ID: 6692365

CC1C(C(C(C(O1)Oc2ccc(cc2)N)O)O)O
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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Descriptor Annotations

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