6-methyloxane-2,3,4,5-tetrol

C6H12O5 — CID 840

IUPAC6-methyloxane-2,3,4,5-tetrol
SMILESCC1OC(O)C(O)C(O)C1O
InChIInChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3
InChIKeySHZGCJCMOBCMKK-UHFFFAOYSA-N
MW164.16 g/mol
LogP-2.19
Rot. Bonds

About 6-methyloxane-2,3,4,5-tetrol

6-methyloxane-2,3,4,5-tetrol (PubChem CID 840) has the molecular formula C6H12O5 and a molecular weight of 164.16 g/mol. Its IUPAC name is 6-methyloxane-2,3,4,5-tetrol.

Molecular Properties

Compound Name6-methyloxane-2,3,4,5-tetrol
PubChem CID840
Molecular FormulaC6H12O5
Molecular Weight164.16 g/mol
Exact Mass164.07
IUPAC Name6-methyloxane-2,3,4,5-tetrol
SMILESCC1OC(O)C(O)C(O)C1O
InChIInChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3
InChIKeySHZGCJCMOBCMKK-UHFFFAOYSA-N
XLogP-2.19
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 5-2.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

Lactitol
CID 157355
D-Fructose
CID 2723872
D-Xylose
CID 135191
D-Glucose
CID 5793
D-Galactose
CID 6036
D-Tagatose
CID 439312
Hexose
CID 206
L-Fucose
CID 17106
Beta-D-Fructopyranose
CID 24310
Maltitol
CID 493591
beta-D-Galactopyranose
CID 439353
D-Ribose
CID 10975657

Frequently Asked Questions

What is the IUPAC name of 6-methyloxane-2,3,4,5-tetrol?
The IUPAC name of 6-methyloxane-2,3,4,5-tetrol (CID 840) is 6-methyloxane-2,3,4,5-tetrol.
What is the SMILES notation for 6-methyloxane-2,3,4,5-tetrol?
The canonical SMILES for 6-methyloxane-2,3,4,5-tetrol is CC1OC(O)C(O)C(O)C1O.
What is the InChIKey of 6-methyloxane-2,3,4,5-tetrol?
The InChIKey is SHZGCJCMOBCMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3.
What are the key properties of 6-methyloxane-2,3,4,5-tetrol?
6-methyloxane-2,3,4,5-tetrol has a molecular weight of 164.16 g/mol, XLogP of -2.19, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyloxane-2,3,4,5-tetrol is sourced from PubChem (CID 840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).