Chemical ID: 6045190

CC(=O)NC1C(C(C(OC1OC2C(C(OC(C2O)CO)O)NC(=O)C)CO)O)O
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

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Descriptor Annotations

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