Chemical ID: 6046605

CCCCCCOC1C(C(C(C(O1)CO)O)O)O
Chemical ID:
6046605
Name [?]:
2-hexoxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
SMILES [?]:
CCCCCCOC1C(C(C(C(O1)CO)O)O)O
InChi [?]:
InChI=1/C12H24O6/c1-2-3-4-5-6-17-12-11(16)10(15)9(14)8(7-13)18-12/h8-16H,2-7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,4,5,6,14,12,11,10,9,8,15,16,17,18,7,13/rA:18cCCCCCCOCCCCCOCOOOO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s8s12;s12;s14;s11;s10;s9;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H24O6
All Atoms:18
Heavy Atoms:18
Chiral Atoms:5
ZAP Information [?]
Total:5.33845
Area:474.695
Solvation:-6.52893
Coulombic:-85.5955
Bond Count [?]
All:18
Single:18
Double:0
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:264.315
H-Bond Donors:4
H-Bond Acceptors:6
XLogP:0.45
LogP (Chemaxon):0.52

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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