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

C6H10O4 — CID 59658630

IUPAC(3R,4R)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4-diol
SMILESOCC1OC=C[C@@H](O)[C@H]1O
InChIInChI=1S/C6H10O4/c7-3-5-6(9)4(8)1-2-10-5/h1-2,4-9H,3H2/t4-,5?,6-/m1/s1
InChIKeyYVECGMZCTULTIS-SPWIIUKKSA-N
MW146.14 g/mol
LogP-1.39
Rot. Bonds1

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

(3R,4R)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4-diol (PubChem CID 59658630) has the molecular formula C6H10O4 and a molecular weight of 146.14 g/mol. Its IUPAC name is (3R,4R)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4-diol.

Molecular Properties

Compound Name(3R,4R)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4-diol
PubChem CID59658630
Molecular FormulaC6H10O4
Molecular Weight146.14 g/mol
Exact Mass146.06
IUPAC Name(3R,4R)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4-diol
SMILESOCC1OC=C[C@@H](O)[C@H]1O
InChIInChI=1S/C6H10O4/c7-3-5-6(9)4(8)1-2-10-5/h1-2,4-9H,3H2/t4-,5?,6-/m1/s1
InChIKeyYVECGMZCTULTIS-SPWIIUKKSA-N
XLogP-1.39
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 5-1.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4-diol?
The IUPAC name of (3R,4R)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4-diol (CID 59658630) is (3R,4R)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4-diol.
What is the SMILES notation for (3R,4R)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4-diol?
The canonical SMILES for (3R,4R)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4-diol is OCC1OC=C[C@@H](O)[C@H]1O.
What is the InChIKey of (3R,4R)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4-diol?
The InChIKey is YVECGMZCTULTIS-SPWIIUKKSA-N. The full InChI is InChI=1S/C6H10O4/c7-3-5-6(9)4(8)1-2-10-5/h1-2,4-9H,3H2/t4-,5?,6-/m1/s1.
What are the key properties of (3R,4R)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4-diol?
(3R,4R)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4-diol has a molecular weight of 146.14 g/mol, XLogP of -1.39, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4-diol is sourced from PubChem (CID 59658630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).