Chemical ID: 4742808

CCCCCCCCCOC1C(C(C(C(O1)CO)O)O)O
Chemical ID:
4742808
Name [?]:
2-(hydroxymethyl)-6-nonoxy-tetrahydropyran-3,4,5-triol
SMILES [?]:
CCCCCCCCCOC1C(C(C(C(O1)CO)O)O)O
InChi [?]:
InChI=1/C15H30O6/c1-2-3-4-5-6-7-8-9-20-15-14(19)13(18)12(17)11(10-16)21-15/h11-19H,2-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,4,5,6,7,8,9,17,15,14,13,12,11,18,19,20,21,10,16/rA:21cCCCCCCCCCOCCCCCOCOOOO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s11s15;s15;s17;s14;s13;s12;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H30O6
All Atoms:21
Heavy Atoms:21
Chiral Atoms:5
ZAP Information [?]
Total:7.29805
Area:554.597
Solvation:-6.56688
Coulombic:-86.5081
Bond Count [?]
All:21
Single:21
Double:0
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:306.395
H-Bond Donors:4
H-Bond Acceptors:6
XLogP:2.16
LogP (Chemaxon):1.71

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Descriptor Annotations

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