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Chemical ID: 6623707
Chemical ID:
6623707
Name [?]:
None
SMILES [?]:
CCOC(=O)C1C2C(C(C1=O)C(=O)OCC)C(C(=O)C2C(=O)OCC)C(=O)OCC
InChi [?]:
InChI=1/C20H26O10/c1-5-27-17(23)11-9-10(13(15(11)21)19(25)29-7-3)14(20(26)30-8-4)16(22)12(9)18(24)28-6-2/h9-14H,5-8H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,25,16,30,2,24,15,29,7,8,6,20,9,17,10,18,4,21,12,26,11,19,5,22,13,27,3,23,14,28/E:(1,2,3,4)(5,6,7,8)(9,10)(11,12,13,14)(15,16)(17,18,19,20)(21,22)(23,24,25,26)(27,28,29,30)/rA:30cCCOCOCCCCCOCOOCCCCOCCOOCCCOOCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s6s9;d10;s9;d12;s12;s14;s15;s8;s17;d18;s7s18;s20;d21;s21;s23;s24;s17;d26;s26;s28;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H26O10 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 4 |
ZAP Information [?]
Total: | 7.43347 |
Area: | 609.429 |
Solvation: | -7.80227 |
Coulombic: | -78.6678 |
Bond Count [?]
All: | 31 |
Single: | 25 |
Double: | 6 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 426.414 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 10 |
XLogP: | -0.85 |
LogP (Chemaxon): | 1.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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