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Chemical ID: 6045517
Chemical ID:
6045517
Name [?]:
None
SMILES [?]:
CC1(OC2C3COC(O3)C(C2O1)O)C
InChi [?]:
InChI=1/C9H14O5/c1-9(2)13-6-4-3-11-8(12-4)5(10)7(6)14-9/h4-8,10H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,14,6,5,10,4,11,8,2,13,7,9,3,12/E:(1,2)/rA:14cCCOCCCOCOCCOOC/rB:s1;s2;s3;s4;s5;s6;s7;s5s8;s8;s4s10;s2s11;s10;s2;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H14O5 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 5 |
ZAP Information [?]
Total: | 3.91957 |
Area: | 331.438 |
Solvation: | -4.36637 |
Coulombic: | -53.1323 |
Bond Count [?]
All: | 16 |
Single: | 16 |
Double: | 0 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 202.204 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | -0.55 |
LogP (Chemaxon): | 0.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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