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Chemical ID: 5341866
Chemical ID:
5341866
Name [?]:
[5-(hydroxy-diphenyl-methyl)-1,3-dioxolan-4-yl]-diphenyl-methanol
SMILES [?]:
c1ccc(cc1)C(c2ccccc2)(C3C(OCO3)C(c4ccccc4)(c5ccccc5)O)O
InChi [?]:
InChI=1/C29H26O4/c30-28(22-13-5-1-6-14-22,23-15-7-2-8-16-23)26-27(33-21-32-26)29(31,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20,26-27,30-31H,21H2
InChi Info:
AuxInfo=1/0/N:1,11,23,29,2,6,10,12,22,24,28,30,3,5,9,13,21,25,27,31,17,4,8,20,26,14,15,7,19,33,32,18,16/E:(1,2,3,4)(5,6,7,8,9,10,11,12)(13,14,15,16,17,18,19,20)(22,23,24,25)(26,27)(28,29)(30,31)(32,33)/rA:33cCCCCCCCCCCCCCCCOCOCCCCCCCCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s7;s14;s15;s16;s14s17;s15;s19;s20;d21;s22;d23;d20s24;s19;s26;d27;s28;d29;d26s30;s19;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C29H26O4 |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 11.7219 |
Area: | 600.625 |
Solvation: | -3.29373 |
Coulombic: | -62.0707 |
Bond Count [?]
All: | 37 |
Single: | 25 |
Double: | 12 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 438.514 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 5.16 |
LogP (Chemaxon): | 6.05 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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