Chemical ID: 4569202

c1cc(ccc1CO)OC2C(C(C(C(O2)CO)O)O)O
Chemical ID:
4569202
Name [?]:
2-(hydroxymethyl)-6-[4-(hydroxymethyl)phenoxy]-tetrahydropyran-3,4,5-triol
SMILES [?]:
c1cc(ccc1CO)OC2C(C(C(C(O2)CO)O)O)O
InChi [?]:
InChI=1/C13H18O7/c14-5-7-1-3-8(4-2-7)19-13-12(18)11(17)10(16)9(6-15)20-13/h1-4,9-18H,5-6H2
InChi Info:
AuxInfo=1/0/N:1,5,2,4,7,16,6,3,14,13,12,11,10,8,17,18,19,20,9,15/E:(1,2)(3,4)/rA:20cCCCCCCCOOCCCCCOCOOOO/rB:s1;d2;s3;d4;d1s5;s6;s7;s3;s9;s10;s11;s12;s13;s10s14;s14;s16;s13;s12;s11;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H18O7
All Atoms:20
Heavy Atoms:20
Chiral Atoms:5
ZAP Information [?]
Total:3.2484
Area:455.311
Solvation:-8.13438
Coulombic:-100.932
Bond Count [?]
All:21
Single:18
Double:3
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:286.278
H-Bond Donors:5
H-Bond Acceptors:7
XLogP:-0.93
LogP (Chemaxon):-0.24

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Descriptor Annotations

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