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Chemical ID: 6419406
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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