Chemical ID: 6460247

CC(=O)NC1C(C2C(COC(O2)c3ccc(cc3)OC)OC1O)O
Chemical ID:
6460247
Name [?]:
N-[8,10-dihydroxy-3-(4-methoxyphenyl)-2,4,7-trioxabicyclo[4.4.0]dec-9-yl]acetamide
SMILES [?]:
CC(=O)NC1C(C2C(COC(O2)c3ccc(cc3)OC)OC1O)O
InChi [?]:
InChI=1/C16H21NO7/c1-8(18)17-12-13(19)14-11(23-15(12)20)7-22-16(24-14)9-3-5-10(21-2)6-4-9/h3-6,11-16,19-20H,7H2,1-2H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,20,14,18,15,17,9,2,13,16,8,5,6,7,22,11,4,3,24,23,19,10,21,12/E:(3,4)(5,6)/rA:24cCCONCCCCCOCOCCCCCCOCOCOO/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;s10;s7s11;s11;s13;d14;s15;d16;d13s17;s16;s19;s8;s5s21;s22;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H21NO7
All Atoms:24
Heavy Atoms:24
Chiral Atoms:6
ZAP Information [?]
Total:4.67519
Area:518.24
Solvation:-8.28081
Coulombic:-86.7484
Bond Count [?]
All:26
Single:22
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:339.34
H-Bond Donors:3
H-Bond Acceptors:8
XLogP:0.13
LogP (Chemaxon):-0.04

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Descriptor Annotations

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