(2R,3S,4S)-2-methyl-3,4-dihydro-2H-pyran-3,4-diol

C6H10O3 — CID 12816776

IUPAC(2R,3S,4S)-2-methyl-3,4-dihydro-2H-pyran-3,4-diol
SMILESC[C@H]1OC=C[C@H](O)[C@@H]1O
InChIInChI=1S/C6H10O3/c1-4-6(8)5(7)2-3-9-4/h2-8H,1H3/t4-,5+,6-/m1/s1
InChIKeyZPKHLHZFXAQVMQ-NGJCXOISSA-N
MW130.14 g/mol
LogP-0.36
Rot. Bonds

About (2R,3S,4S)-2-methyl-3,4-dihydro-2H-pyran-3,4-diol

(2R,3S,4S)-2-methyl-3,4-dihydro-2H-pyran-3,4-diol (PubChem CID 12816776) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is (2R,3S,4S)-2-methyl-3,4-dihydro-2H-pyran-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4S)-2-methyl-3,4-dihydro-2H-pyran-3,4-diol
PubChem CID12816776
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name(2R,3S,4S)-2-methyl-3,4-dihydro-2H-pyran-3,4-diol
SMILESC[C@H]1OC=C[C@H](O)[C@@H]1O
InChIInChI=1S/C6H10O3/c1-4-6(8)5(7)2-3-9-4/h2-8H,1H3/t4-,5+,6-/m1/s1
InChIKeyZPKHLHZFXAQVMQ-NGJCXOISSA-N
XLogP-0.36
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S)-2-methyl-3,4-dihydro-2H-pyran-3,4-diol?
The IUPAC name of (2R,3S,4S)-2-methyl-3,4-dihydro-2H-pyran-3,4-diol (CID 12816776) is (2R,3S,4S)-2-methyl-3,4-dihydro-2H-pyran-3,4-diol.
What is the SMILES notation for (2R,3S,4S)-2-methyl-3,4-dihydro-2H-pyran-3,4-diol?
The canonical SMILES for (2R,3S,4S)-2-methyl-3,4-dihydro-2H-pyran-3,4-diol is C[C@H]1OC=C[C@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4S)-2-methyl-3,4-dihydro-2H-pyran-3,4-diol?
The InChIKey is ZPKHLHZFXAQVMQ-NGJCXOISSA-N. The full InChI is InChI=1S/C6H10O3/c1-4-6(8)5(7)2-3-9-4/h2-8H,1H3/t4-,5+,6-/m1/s1.
What are the key properties of (2R,3S,4S)-2-methyl-3,4-dihydro-2H-pyran-3,4-diol?
(2R,3S,4S)-2-methyl-3,4-dihydro-2H-pyran-3,4-diol has a molecular weight of 130.14 g/mol, XLogP of -0.36, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S)-2-methyl-3,4-dihydro-2H-pyran-3,4-diol is sourced from PubChem (CID 12816776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).