Chemical ID: 6693244

CC(=CCCC(=CCCC(=CCCC(=CCOP(=O)(O)OP(=O)(O)O)C)C)C)C
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

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