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Chemical ID: 7004902
Chemical ID:
7004902
Name [?]:
N-[4,5-dihydroxy-6-(hydroxymethyl)-2-isopropoxy-tetrahydropyran-3-yl]acetamide
SMILES [?]:
CC(C)OC1C(C(C(C(O1)CO)O)O)NC(=O)C
InChi [?]:
InChI=1/C11H21NO6/c1-5(2)17-11-8(12-6(3)14)10(16)9(15)7(4-13)18-11/h5,7-11,13,15-16H,4H2,1-3H3,(H,12,14)
InChi Info:
AuxInfo=1/1/N:1,3,18,11,2,16,9,6,8,7,5,15,12,17,13,14,4,10/E:(1,2)/rA:18cCCCOCCCCCOCOOONCOC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s5s9;s9;s11;s8;s7;s6;s15;d16;s16;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H21NO6 |
All Atoms: | 39 |
Heavy Atoms: | 18 |
Chiral Atoms: | 5 |
ZAP Information [?]
Total: | 3.11063 |
Area: | 435.655 |
Solvation: | -7.78075 |
Coulombic: | -84.893 |
Bond Count [?]
All: | 18 |
Single: | 17 |
Double: | 1 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 263.288 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 7 |
XLogP: | -0.94 |
LogP (Chemaxon): | -1.25 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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