Chemical ID: 4742807

CCCCCCCCOC1C(C(C(C(O1)CO)O)O)O
Chemical ID:
4742807
Name [?]:
2-(hydroxymethyl)-6-octoxy-tetrahydropyran-3,4,5-triol
SMILES [?]:
CCCCCCCCOC1C(C(C(C(O1)CO)O)O)O
InChi [?]:
InChI=1/C14H28O6/c1-2-3-4-5-6-7-8-19-14-13(18)12(17)11(16)10(9-15)20-14/h10-18H,2-9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,4,5,6,7,8,16,14,13,12,11,10,17,18,19,20,9,15/rA:20cCCCCCCCCOCCCCCOCOOOO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s10s14;s14;s16;s13;s12;s11;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H28O6
All Atoms:20
Heavy Atoms:20
Chiral Atoms:5
ZAP Information [?]
Total:6.66128
Area:528.914
Solvation:-6.56157
Coulombic:-86.2021
Bond Count [?]
All:20
Single:20
Double:0
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:292.369
H-Bond Donors:4
H-Bond Acceptors:6
XLogP:1.59
LogP (Chemaxon):1.31

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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