Chemical ID: 3966935

CC(C)(CCCC(CC(=O)OC)(C(=O)OC1C2c3cc4c(cc3CCN5C2(CCC5)C=C1OC)OCO4)O)O
Chemical ID:
3966935
Name [?]:
None
SMILES [?]:
CC(C)(CCCC(CC(=O)OC)(C(=O)OC1C2c3cc4c(cc3CCN5C2(CCC5)C=C1OC)OCO4)O)O
InChi [?]:
InChI=1/C29H39NO9/c1-27(2,33)8-5-10-29(34,16-23(31)36-4)26(32)39-25-22(35-3)15-28-9-6-11-30(28)12-7-18-13-20-21(38-17-37-20)14-19(18)24(25)28/h13-15,24-25,33-34H,5-12,16-17H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,34,12,5,29,24,4,28,6,30,25,22,19,31,8,36,23,18,21,20,32,9,17,16,13,2,27,7,26,10,14,39,38,33,11,35,37,15/E:(1,2)/rA:39cCCCCCCCCCOOCCOOCCCCCCCCCCNCCCCCCOCOCOOO/rB:s1;s2;s2;s4;s5;s6;s7;s8;d9;s9;s11;s7;d13;s13;s15;s16;s17;s18;d19;s20;d21;d18s22;s23;s24;s25;s17s26;s27;s28;s26s29;s27;s16d31;s32;s33;s21;s35;s20s36;s7;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H39NO9
All Atoms:39
Heavy Atoms:39
Chiral Atoms:5
ZAP Information [?]
Total:8.92382
Area:718.568
Solvation:-9.04037
Coulombic:-97.4354
Bond Count [?]
All:43
Single:37
Double:6
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:545.621
H-Bond Donors:2
H-Bond Acceptors:10
XLogP:1.99
LogP (Chemaxon):0.95

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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