Chemical ID: 4562585

CCCOc1ccc(cc1)COC2C(OC3C2OC4(O3)CCCCC4)C5COC6(O5)CCCCC6
Chemical ID:
4562585
Name [?]:
None
SMILES [?]:
CCCOc1ccc(cc1)COC2C(OC3C2OC4(O3)CCCCC4)C5COC6(O5)CCCCC6
InChi [?]:
InChI=1/C28H40O7/c1-2-17-29-21-11-9-20(10-12-21)18-30-24-23(22-19-31-27(33-22)13-5-3-6-14-27)32-26-25(24)34-28(35-26)15-7-4-8-16-28/h9-12,22-26H,2-8,13-19H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,33,23,32,34,22,24,7,9,6,10,31,35,21,25,3,11,27,8,5,26,14,13,17,16,29,19,4,12,28,15,30,18,20/E:(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/rA:35cCCCOCCCCCCCOCCOCCOCOCCCCCCCOCOCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;s12;s13;s14;s15;s13s16;s17;s18;s16s19;s19;s21;s22;s23;s19s24;s14;s26;s27;s28;s26s29;s29;s31;s32;s33;s29s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H40O7
All Atoms:35
Heavy Atoms:35
Chiral Atoms:5
ZAP Information [?]
Total:10.7011
Area:721.641
Solvation:-7.33991
Coulombic:-63.0928
Bond Count [?]
All:40
Single:37
Double:3
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:488.613
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:5.09
LogP (Chemaxon):5.67

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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