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Chemical ID: 3966384
Chemical ID:
3966384
Name [?]:
7-[3,5-dihydroxy-2-(3-hydroxyoct-1-enyl)cyclopentyl]hept-5-enoic acid
SMILES [?]:
CCCCCC(C=CC1C(CC(C1CC=CCCCC(=O)O)O)O)O
InChi [?]:
InChI=1/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,3,16,17,4,15,18,5,14,19,7,8,11,6,13,9,12,10,20,25,23,24,21,22/E:(24,25)/rA:25cCCCCCCCCCCCCCCCCCCCCOOOOO/rB:s1;s2;s3;s4;s5;s6;w7;s8;s9;s10;s11;s9s12;s13;s14;w15;s16;s17;s18;s19;d20;s20;s12;s10;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H34O5 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 5 |
ZAP Information [?]
Total: | 10.8099 |
Area: | 646.282 |
Solvation: | -5.34712 |
Coulombic: | -79.2211 |
Bond Count [?]
All: | 25 |
Single: | 22 |
Double: | 3 |
Rotors: | 12 |
Chiral: | 2 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 354.481 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 5 |
XLogP: | 3.2 |
LogP (Chemaxon): | 3.1 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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