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Chemical ID: 6660463
Chemical ID:
6660463
Name [?]:
3,4-bis(benzo[1,3]dioxol-5-ylmethyl)tetrahydrofuran-2-ol
SMILES [?]:
c1cc2c(cc1CC3COC(C3Cc4ccc5c(c4)OCO5)O)OCO2
InChi [?]:
InChI=1/C20H20O6/c21-20-15(6-13-2-4-17-19(8-13)26-11-24-17)14(9-22-20)5-12-1-3-16-18(7-12)25-10-23-16/h1-4,7-8,14-15,20-21H,5-6,9-11H2
InChi Info:
AuxInfo=1/0/N:1,15,2,16,7,13,5,19,9,25,21,6,14,8,12,3,17,4,18,11,23,10,26,22,24,20/rA:26cCCCCCCCCCOCCCCCCCCCOCOOOCO/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;s8s11;s12;s13;s14;d15;s16;d17;d14s18;s18;s20;s17s21;s11;s4;s24;s3s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H20O6 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 6.72858 |
Area: | 544.377 |
Solvation: | -6.88083 |
Coulombic: | -57.7136 |
Bond Count [?]
All: | 30 |
Single: | 24 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 356.369 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 2.99 |
LogP (Chemaxon): | 3.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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