Chemical ID: 3967204

C(C1C(C(C(C(O1)OC2C(OC(C2O)(CO)O)CO)O)O)O)O
Chemical ID:
3967204
Name [?]:
2-[4,5-dihydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
SMILES [?]:
C(C1C(C(C(C(O1)OC2C(OC(C2O)(CO)O)CO)O)O)O)O
InChi [?]:
InChI=1/C12H22O11/c13-1-4-6(16)7(17)8(18)11(21-4)22-9-5(2-14)23-12(20,3-15)10(9)19/h4-11,13-20H,1-3H2
InChi Info:
AuxInfo=1/0/N:1,18,15,2,10,3,4,5,9,13,6,12,23,19,16,22,21,20,14,17,7,8,11/rA:23cCCCCCCOOCCOCCOCOOCOOOOO/rB:s1;s2;s3;s4;s5;s2s6;s6;s8;s9;s10;s11;s9s12;s13;s12;s15;s12;s10;s18;s5;s4;s3;s1;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H22O11
All Atoms:23
Heavy Atoms:23
Chiral Atoms:9
ZAP Information [?]
Total:-1.35505
Area:514.622
Solvation:-14.2206
Coulombic:-157.145
Bond Count [?]
All:24
Single:24
Double:0
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:342.296
H-Bond Donors:8
H-Bond Acceptors:11
XLogP:-4.35
LogP (Chemaxon):-2.47

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