(2R,3R,4R,5S,6R)-2,3,4,6-tetrahydroxy-5-methoxycyclohexan-1-one

C7H12O6 — CID 11953802

IUPAC(2R,3R,4R,5S,6R)-2,3,4,6-tetrahydroxy-5-methoxycyclohexan-1-one
SMILESCO[C@H]1[C@H](O)[C@@H](O)[C@@H](O)C(=O)[C@@H]1O
InChIInChI=1S/C7H12O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-3,5-9,11-12H,1H3/t2-,3+,5-,6+,7+/m1/s1
InChIKeyVKPFEZAOAAZDPP-QCNSFQOVSA-N
MW192.17 g/mol
LogP-2.97
Rot. Bonds1

About (2R,3R,4R,5S,6R)-2,3,4,6-tetrahydroxy-5-methoxycyclohexan-1-one

(2R,3R,4R,5S,6R)-2,3,4,6-tetrahydroxy-5-methoxycyclohexan-1-one (PubChem CID 11953802) has the molecular formula C7H12O6 and a molecular weight of 192.17 g/mol. Its IUPAC name is (2R,3R,4R,5S,6R)-2,3,4,6-tetrahydroxy-5-methoxycyclohexan-1-one.

Molecular Properties

Compound Name(2R,3R,4R,5S,6R)-2,3,4,6-tetrahydroxy-5-methoxycyclohexan-1-one
PubChem CID11953802
Molecular FormulaC7H12O6
Molecular Weight192.17 g/mol
Exact Mass192.06
IUPAC Name(2R,3R,4R,5S,6R)-2,3,4,6-tetrahydroxy-5-methoxycyclohexan-1-one
SMILESCO[C@H]1[C@H](O)[C@@H](O)[C@@H](O)C(=O)[C@@H]1O
InChIInChI=1S/C7H12O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-3,5-9,11-12H,1H3/t2-,3+,5-,6+,7+/m1/s1
InChIKeyVKPFEZAOAAZDPP-QCNSFQOVSA-N
XLogP-2.97
TPSA107.22 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 5-2.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S,6R)-2,3,4,6-tetrahydroxy-5-methoxycyclohexan-1-one?
The IUPAC name of (2R,3R,4R,5S,6R)-2,3,4,6-tetrahydroxy-5-methoxycyclohexan-1-one (CID 11953802) is (2R,3R,4R,5S,6R)-2,3,4,6-tetrahydroxy-5-methoxycyclohexan-1-one.
What is the SMILES notation for (2R,3R,4R,5S,6R)-2,3,4,6-tetrahydroxy-5-methoxycyclohexan-1-one?
The canonical SMILES for (2R,3R,4R,5S,6R)-2,3,4,6-tetrahydroxy-5-methoxycyclohexan-1-one is CO[C@H]1[C@H](O)[C@@H](O)[C@@H](O)C(=O)[C@@H]1O.
What is the InChIKey of (2R,3R,4R,5S,6R)-2,3,4,6-tetrahydroxy-5-methoxycyclohexan-1-one?
The InChIKey is VKPFEZAOAAZDPP-QCNSFQOVSA-N. The full InChI is InChI=1S/C7H12O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-3,5-9,11-12H,1H3/t2-,3+,5-,6+,7+/m1/s1.
What are the key properties of (2R,3R,4R,5S,6R)-2,3,4,6-tetrahydroxy-5-methoxycyclohexan-1-one?
(2R,3R,4R,5S,6R)-2,3,4,6-tetrahydroxy-5-methoxycyclohexan-1-one has a molecular weight of 192.17 g/mol, XLogP of -2.97, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S,6R)-2,3,4,6-tetrahydroxy-5-methoxycyclohexan-1-one is sourced from PubChem (CID 11953802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).