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

C6H10O4 — CID 130760786

IUPAC(2S,3R,4S)-2-methoxy-3,4-dihydro-2H-pyran-3,4-diol
SMILESCO[C@H]1OC=C[C@H](O)[C@H]1O
InChIInChI=1S/C6H10O4/c1-9-6-5(8)4(7)2-3-10-6/h2-8H,1H3/t4-,5+,6-/m0/s1
InChIKeyRRVMTPHITJSECJ-JKUQZMGJSA-N
MW146.14 g/mol
LogP-0.78
Rot. Bonds1

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

(2S,3R,4S)-2-methoxy-3,4-dihydro-2H-pyran-3,4-diol (PubChem CID 130760786) has the molecular formula C6H10O4 and a molecular weight of 146.14 g/mol. Its IUPAC name is (2S,3R,4S)-2-methoxy-3,4-dihydro-2H-pyran-3,4-diol.

Molecular Properties

Compound Name(2S,3R,4S)-2-methoxy-3,4-dihydro-2H-pyran-3,4-diol
PubChem CID130760786
Molecular FormulaC6H10O4
Molecular Weight146.14 g/mol
Exact Mass146.06
IUPAC Name(2S,3R,4S)-2-methoxy-3,4-dihydro-2H-pyran-3,4-diol
SMILESCO[C@H]1OC=C[C@H](O)[C@H]1O
InChIInChI=1S/C6H10O4/c1-9-6-5(8)4(7)2-3-10-6/h2-8H,1H3/t4-,5+,6-/m0/s1
InChIKeyRRVMTPHITJSECJ-JKUQZMGJSA-N
XLogP-0.78
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S)-2-methoxy-3,4-dihydro-2H-pyran-3,4-diol?
The IUPAC name of (2S,3R,4S)-2-methoxy-3,4-dihydro-2H-pyran-3,4-diol (CID 130760786) is (2S,3R,4S)-2-methoxy-3,4-dihydro-2H-pyran-3,4-diol.
What is the SMILES notation for (2S,3R,4S)-2-methoxy-3,4-dihydro-2H-pyran-3,4-diol?
The canonical SMILES for (2S,3R,4S)-2-methoxy-3,4-dihydro-2H-pyran-3,4-diol is CO[C@H]1OC=C[C@H](O)[C@H]1O.
What is the InChIKey of (2S,3R,4S)-2-methoxy-3,4-dihydro-2H-pyran-3,4-diol?
The InChIKey is RRVMTPHITJSECJ-JKUQZMGJSA-N. The full InChI is InChI=1S/C6H10O4/c1-9-6-5(8)4(7)2-3-10-6/h2-8H,1H3/t4-,5+,6-/m0/s1.
What are the key properties of (2S,3R,4S)-2-methoxy-3,4-dihydro-2H-pyran-3,4-diol?
(2S,3R,4S)-2-methoxy-3,4-dihydro-2H-pyran-3,4-diol has a molecular weight of 146.14 g/mol, XLogP of -0.78, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S)-2-methoxy-3,4-dihydro-2H-pyran-3,4-diol is sourced from PubChem (CID 130760786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).