Chemical ID: 7004902

CC(C)OC1C(C(C(C(O1)CO)O)O)NC(=O)C
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

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Descriptor Annotations

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