(3R,5S)-3,4,5-trihydroxy-6-methyloxan-2-one

C6H10O5 — CID 90338107

IUPAC(3R,5S)-3,4,5-trihydroxy-6-methyloxan-2-one
SMILESCC1OC(=O)[C@H](O)C(O)[C@@H]1O
InChIInChI=1S/C6H10O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-5,7-9H,1H3/t2?,3-,4?,5-/m1/s1
InChIKeyZVAHHEYPLKVJSO-FKEBYDFPSA-N
MW162.14 g/mol
LogP-1.99
Rot. Bonds

About (3R,5S)-3,4,5-trihydroxy-6-methyloxan-2-one

(3R,5S)-3,4,5-trihydroxy-6-methyloxan-2-one (PubChem CID 90338107) has the molecular formula C6H10O5 and a molecular weight of 162.14 g/mol. Its IUPAC name is (3R,5S)-3,4,5-trihydroxy-6-methyloxan-2-one.

Molecular Properties

Compound Name(3R,5S)-3,4,5-trihydroxy-6-methyloxan-2-one
PubChem CID90338107
Molecular FormulaC6H10O5
Molecular Weight162.14 g/mol
Exact Mass162.05
IUPAC Name(3R,5S)-3,4,5-trihydroxy-6-methyloxan-2-one
SMILESCC1OC(=O)[C@H](O)C(O)[C@@H]1O
InChIInChI=1S/C6H10O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-5,7-9H,1H3/t2?,3-,4?,5-/m1/s1
InChIKeyZVAHHEYPLKVJSO-FKEBYDFPSA-N
XLogP-1.99
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 5-1.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,5S)-3,4,5-trihydroxy-6-methyloxan-2-one?
The IUPAC name of (3R,5S)-3,4,5-trihydroxy-6-methyloxan-2-one (CID 90338107) is (3R,5S)-3,4,5-trihydroxy-6-methyloxan-2-one.
What is the SMILES notation for (3R,5S)-3,4,5-trihydroxy-6-methyloxan-2-one?
The canonical SMILES for (3R,5S)-3,4,5-trihydroxy-6-methyloxan-2-one is CC1OC(=O)[C@H](O)C(O)[C@@H]1O.
What is the InChIKey of (3R,5S)-3,4,5-trihydroxy-6-methyloxan-2-one?
The InChIKey is ZVAHHEYPLKVJSO-FKEBYDFPSA-N. The full InChI is InChI=1S/C6H10O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-5,7-9H,1H3/t2?,3-,4?,5-/m1/s1.
What are the key properties of (3R,5S)-3,4,5-trihydroxy-6-methyloxan-2-one?
(3R,5S)-3,4,5-trihydroxy-6-methyloxan-2-one has a molecular weight of 162.14 g/mol, XLogP of -1.99, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-3,4,5-trihydroxy-6-methyloxan-2-one is sourced from PubChem (CID 90338107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).