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Chemical ID: 6693244
Chemical ID:
6693244
Name [?]:
(hydroxy-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy)phosphoryl)oxyphosphonic acid
SMILES [?]:
CC(=CCCC(=CCCC(=CCCC(=CCOP(=O)(O)OP(=O)(O)O)C)C)C)C
InChi [?]:
InChI=1/C20H36O7P2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-26-29(24,25)27-28(21,22)23/h9,11,13,15H,6-8,10,12,14,16H2,1-5H3,(H,24,25)(H2,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,29,28,27,26,4,8,12,3,5,7,9,11,13,15,16,2,6,10,14,23,24,25,19,20,17,21,22,18/E:(1,2)(21,22,23)(24,25)/rA:29cCCCCCCCCCCCCCCCCOPOOOPOOOCCCC/rB:s1;d2;s3;s4;s5;w6;s7;s8;s9;w10;s11;s12;s13;w14;s15;s16;s17;d18;s18;s18;s21;d22;s22;s22;s14;s10;s6;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H36O7P2 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 13.5628 |
Area: | 724.682 |
Solvation: | -4.55425 |
Coulombic: | -92.9286 |
Bond Count [?]
All: | 28 |
Single: | 22 |
Double: | 6 |
Rotors: | 14 |
Chiral: | 3 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 450.443 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 7 |
XLogP: | 1.81 |
LogP (Chemaxon): | 4.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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