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Chemical ID: 3964662
Chemical ID:
3964662
Name [?]:
7-[3,5-dihydroxy-2-(3-oxooctyl)cyclopentyl]hept-5-enoic acid
SMILES [?]:
CCCCCC(=O)CCC1C(CC(C1CC=CCCCC(=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/h4,7,16-19,22-23H,2-3,5-6,8-14H2,1H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,3,17,18,4,16,19,5,15,20,8,9,12,6,14,10,13,11,21,7,24,25,22,23/E:(24,25)/rA:25cCCCCCCOCCCCCCCCCCCCCCOOOO/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;s11;s12;s10s13;s14;s15;w16;s17;s18;s19;s20;d21;s21;s13;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H34O5 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 4 |
ZAP Information [?]
Total: | 10.741 |
Area: | 642.406 |
Solvation: | -5.31917 |
Coulombic: | -67.791 |
Bond Count [?]
All: | 25 |
Single: | 22 |
Double: | 3 |
Rotors: | 13 |
Chiral: | 1 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 354.481 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | 3.05 |
LogP (Chemaxon): | 3.43 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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