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Chemical ID: 6915891
Chemical ID:
6915891
Name [?]:
5-acetamido-4,4,6,7,8,9-hexahydroxy-nonanoic acid
SMILES [?]:
CC(=O)NC(C(C(C(CO)O)O)O)C(CCC(=O)O)(O)O
InChi [?]:
InChI=1/C11H21NO9/c1-5(14)12-10(9(19)8(18)6(15)4-13)11(20,21)3-2-7(16)17/h6,8-10,13,15,18-21H,2-4H2,1H3,(H,12,14)(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,16,15,9,2,8,17,7,6,5,14,4,10,3,11,18,19,12,13,20,21/E:(16,17)(20,21)/rA:21cCCONCCCCCOOOOCCCCOOOO/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;s8;s7;s6;s5;s14;s15;s16;d17;s17;s14;s14;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H21NO9 |
All Atoms: | 42 |
Heavy Atoms: | 21 |
Chiral Atoms: | 4 |
ZAP Information [?]
Total: | 1.39244 |
Area: | 491.385 |
Solvation: | -10.8922 |
Coulombic: | -141.616 |
Bond Count [?]
All: | 20 |
Single: | 18 |
Double: | 2 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 311.286 |
H-Bond Donors: | 8 |
H-Bond Acceptors: | 10 |
XLogP: | -4.33 |
LogP (Chemaxon): | -2.47 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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