Chemical ID: 3966874

CC(C)(CCC(CC(=O)OC)(C(=O)OC1C2c3cc4c(cc3CCN5C2(CCC5)C=C1OC)OCO4)O)O
Chemical ID:
3966874
Name [?]:
None
SMILES [?]:
CC(C)(CCC(CC(=O)OC)(C(=O)OC1C2c3cc4c(cc3CCN5C2(CCC5)C=C1OC)OCO4)O)O
InChi [?]:
InChI=1/C28H37NO9/c1-26(2,32)8-9-28(33,15-22(30)35-4)25(31)38-24-21(34-3)14-27-7-5-10-29(27)11-6-17-12-19-20(37-16-36-19)13-18(17)23(24)27/h12-14,23-24,32-33H,5-11,15-16H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,33,11,28,23,27,4,5,29,24,21,18,30,7,35,22,17,20,19,31,8,16,15,12,2,26,6,25,9,13,38,37,32,10,34,36,14/E:(1,2)/rA:38cCCCCCCCCOOCCOOCCCCCCCCCCNCCCCCCOCOCOOO/rB:s1;s2;s2;s4;s5;s6;s7;d8;s8;s10;s6;d12;s12;s14;s15;s16;s17;d18;s19;d20;d17s21;s22;s23;s24;s16s25;s26;s27;s25s28;s26;s15d30;s31;s32;s20;s34;s19s35;s6;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H37NO9
All Atoms:38
Heavy Atoms:38
Chiral Atoms:5
ZAP Information [?]
Total:8.36185
Area:694.745
Solvation:-9.00677
Coulombic:-97.0831
Bond Count [?]
All:42
Single:36
Double:6
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:531.595
H-Bond Donors:2
H-Bond Acceptors:10
XLogP:1.63
LogP (Chemaxon):0.55

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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