Chemical ID: 6419406

c1ccc(cc1)COC2C(C(C(CO2)O)O)O
Chemical ID:
6419406
Name [?]:
2-benzyloxytetrahydropyran-3,4,5-triol
SMILES [?]:
c1ccc(cc1)COC2C(C(C(CO2)O)O)O
InChi [?]:
InChI=1/C12H16O5/c13-9-7-17-12(11(15)10(9)14)16-6-8-4-2-1-3-5-8/h1-5,9-15H,6-7H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,7,13,4,12,11,10,9,15,16,17,8,14/E:(2,3)(4,5)/rA:17cCCCCCCCOCCCCCOOOO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;s12;s9s13;s12;s11;s10;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H16O5
All Atoms:17
Heavy Atoms:17
Chiral Atoms:4
ZAP Information [?]
Total:5.06193
Area:419.365
Solvation:-5.4222
Coulombic:-70.2633
Bond Count [?]
All:18
Single:15
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:240.252
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:0.13
LogP (Chemaxon):0.67

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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