Chemical ID: 6046913

CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)OC)OC)O
Chemical ID:
6046913
Name [?]:
methyl 5-acetamido-4-hydroxy-2-methoxy-6-(1,2,3-trihydroxypropyl)tetrahydropyran-2-carboxylate
SMILES [?]:
CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)OC)OC)O
InChi [?]:
InChI=1/C13H23NO9/c1-6(16)14-9-7(17)4-13(22-3,12(20)21-2)23-11(9)10(19)8(18)5-15/h7-11,15,17-19H,4-5H2,1-3H3,(H,14,16)
InChi Info:
AuxInfo=1/1/N:1,20,22,7,13,2,6,12,5,11,10,17,8,4,14,3,23,15,16,18,19,21,9/rA:23cCCONCCCCOCCCCOOOCOOCOCO/rB:s1;d2;s2;s4;s5;s6;s7;s8;s5s9;s10;s11;s12;s13;s12;s11;s8;d17;s17;s19;s8;s21;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H23NO9
All Atoms:23
Heavy Atoms:23
Chiral Atoms:6
ZAP Information [?]
Total:4.21887
Area:506.928
Solvation:-8.45431
Coulombic:-125.546
Bond Count [?]
All:23
Single:21
Double:2
Rotors:8
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:337.323
H-Bond Donors:5
H-Bond Acceptors:10
XLogP:-2.9
LogP (Chemaxon):-1.73

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Experimental Annotations

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Descriptor Annotations

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