Chemical ID: 6693099

CCOC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)O)O)O)O
Chemical ID:
6693099
Name [?]:
2-[6-ethoxy-4,5-dihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
SMILES [?]:
CCOC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)O)O)O)O
InChi [?]:
InChI=1/C14H26O11/c1-2-22-13-11(21)9(19)12(6(4-16)24-13)25-14-10(20)8(18)7(17)5(3-15)23-14/h5-21H,2-4H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,19,10,17,8,16,15,6,14,5,7,4,13,20,11,21,22,24,23,25,3,18,9,12/rA:25cCCOCCCCCOCOOCCCCCOCOOOOOO/rB:s1;s2;s3;s4;s5;s6;s7;s4s8;s8;s10;s7;s12;s13;s14;s15;s16;s13s17;s17;s19;s16;s15;s14;s6;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H26O11
All Atoms:25
Heavy Atoms:25
Chiral Atoms:10
ZAP Information [?]
Total:1.60498
Area:537.604
Solvation:-11.8351
Coulombic:-150.032
Bond Count [?]
All:26
Single:26
Double:0
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:370.35
H-Bond Donors:7
H-Bond Acceptors:11
XLogP:-3.58
LogP (Chemaxon):-2.36

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Descriptor Annotations

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