Chemical ID: 4910853

CN(C)C(=O)C1C(C2(C(C1O)(c3c(cc(cc3OC)OC)O2)O)c4ccc(cc4)OC)c5ccccc5
Chemical ID:
4910853
Name [?]:
None
SMILES [?]:
CN(C)C(=O)C1C(C2(C(C1O)(c3c(cc(cc3OC)OC)O2)O)c4ccc(cc4)OC)c5ccccc5
InChi [?]:
InChI=1/C29H31NO7/c1-30(2)27(32)23-24(17-9-7-6-8-10-17)29(18-11-13-19(34-3)14-12-18)28(33,26(23)31)25-21(36-5)15-20(35-4)16-22(25)37-29/h6-16,23-24,26,31,33H,1-5H3
InChi Info:
AuxInfo=1/0/N:1,3,31,21,19,35,34,36,33,37,25,29,26,28,16,14,32,24,27,15,17,13,6,7,12,10,4,9,8,2,11,5,23,30,20,18,22/E:(1,2)(7,8)(9,10)(11,12)(13,14)/rA:37cCNCCOCCCCCOCCCCCCOCOCOOCCCCCCOCCCCCCC/rB:s1;s2;s2;d4;s4;s6;s7;s8;s6s9;s10;s9;s12;d13;s14;d15;d12s16;s17;s18;s15;s20;s8s13;s9;s8;s24;d25;s26;d27;d24s28;s27;s30;s7;s32;d33;s34;d35;d32s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H31NO7
All Atoms:37
Heavy Atoms:37
Chiral Atoms:5
ZAP Information [?]
Total:8.64859
Area:694.726
Solvation:-8.71957
Coulombic:-80.874
Bond Count [?]
All:41
Single:31
Double:10
Rotors:7
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:505.559
H-Bond Donors:2
H-Bond Acceptors:8
XLogP:2.79
LogP (Chemaxon):2.39

Name Annotations

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Descriptor Annotations

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