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Chemical ID: 6045193
Chemical ID:
6045193
Name [?]:
N-[2,4-dihydroxy-6-(hydroxymethyl)-5-(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-tetrahydropyran-3-yl]acetamide
SMILES [?]:
CC1C(C(C(C(O1)OC2C(OC(C(C2O)NC(=O)C)O)CO)O)O)O
InChi [?]:
InChI=1/C14H25NO10/c1-4-8(18)10(20)11(21)14(23-4)25-12-6(3-16)24-13(22)7(9(12)19)15-5(2)17/h4,6-14,16,18-22H,3H2,1-2H3,(H,15,17)
InChi Info:
AuxInfo=1/1/N:1,19,21,2,17,10,13,3,14,4,5,9,12,6,16,22,18,25,15,24,23,20,7,11,8/rA:25cCCCCCCOOCCOCCCONCOCOCOOOO/rB:s1;s2;s3;s4;s5;s2s6;s6;s8;s9;s10;s11;s12;s9s13;s14;s13;s16;d17;s17;s12;s10;s21;s5;s4;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H25NO10 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 10 |
ZAP Information [?]
Total: | 0.908739 |
Area: | 544.045 |
Solvation: | -12.6924 |
Coulombic: | -142.725 |
Bond Count [?]
All: | 26 |
Single: | 25 |
Double: | 1 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 367.349 |
H-Bond Donors: | 7 |
H-Bond Acceptors: | 11 |
XLogP: | -3.18 |
LogP (Chemaxon): | -2.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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