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Chemical ID: 6045190
Chemical ID:
6045190
Name [?]:
N-[2-[3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]acetamide
SMILES [?]:
CC(=O)NC1C(C(C(OC1OC2C(C(OC(C2O)CO)O)NC(=O)C)CO)O)O
InChi [?]:
InChI=1/C16H28N2O11/c1-5(21)17-9-13(25)11(23)7(3-19)28-16(9)29-14-10(18-6(2)22)15(26)27-8(4-20)12(14)24/h7-16,19-20,23-26H,3-4H2,1-2H3,(H,17,21)(H,18,22)
InChi Info:
AuxInfo=1/1/N:1,25,26,19,2,23,8,16,5,13,7,17,6,12,14,10,4,22,27,20,3,24,28,18,29,21,15,9,11/rA:29cCCONCCCCOCOCCCOCCOCOONCOCCOOO/rB:s1;d2;s2;s4;s5;s6;s7;s8;s5s9;s10;s11;s12;s13;s14;s15;s12s16;s17;s16;s19;s14;s13;s22;d23;s23;s8;s26;s7;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H28N2O11 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 10 |
ZAP Information [?]
Total: | -0.325649 |
Area: | 587.334 |
Solvation: | -15.009 |
Coulombic: | -160.857 |
Bond Count [?]
All: | 30 |
Single: | 28 |
Double: | 2 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 424.4 |
H-Bond Donors: | 8 |
H-Bond Acceptors: | 13 |
XLogP: | -3.67 |
LogP (Chemaxon): | -4.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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