Chemical ID: 6915891

CC(=O)NC(C(C(C(CO)O)O)O)C(CCC(=O)O)(O)O
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

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