(2R,3S,4S)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4,5-triol

C6H10O5 — CID 24885981

IUPAC(2R,3S,4S)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4,5-triol
SMILESOC[C@H]1OC=C(O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H10O5/c7-1-4-6(10)5(9)3(8)2-11-4/h2,4-10H,1H2/t4-,5-,6-/m1/s1
InChIKeyCXKKSSKKIOZUNR-HSUXUTPPSA-N
MW162.14 g/mol
LogP-1.50
Rot. Bonds1

About (2R,3S,4S)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4,5-triol

(2R,3S,4S)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4,5-triol (PubChem CID 24885981) has the molecular formula C6H10O5 and a molecular weight of 162.14 g/mol. Its IUPAC name is (2R,3S,4S)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4S)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4,5-triol
PubChem CID24885981
Molecular FormulaC6H10O5
Molecular Weight162.14 g/mol
Exact Mass162.05
IUPAC Name(2R,3S,4S)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4,5-triol
SMILESOC[C@H]1OC=C(O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H10O5/c7-1-4-6(10)5(9)3(8)2-11-4/h2,4-10H,1H2/t4-,5-,6-/m1/s1
InChIKeyCXKKSSKKIOZUNR-HSUXUTPPSA-N
XLogP-1.50
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 5-1.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4,5-triol?
The IUPAC name of (2R,3S,4S)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4,5-triol (CID 24885981) is (2R,3S,4S)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4,5-triol.
What is the SMILES notation for (2R,3S,4S)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4,5-triol?
The canonical SMILES for (2R,3S,4S)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4,5-triol is OC[C@H]1OC=C(O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4S)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4,5-triol?
The InChIKey is CXKKSSKKIOZUNR-HSUXUTPPSA-N. The full InChI is InChI=1S/C6H10O5/c7-1-4-6(10)5(9)3(8)2-11-4/h2,4-10H,1H2/t4-,5-,6-/m1/s1.
What are the key properties of (2R,3S,4S)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4,5-triol?
(2R,3S,4S)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4,5-triol has a molecular weight of 162.14 g/mol, XLogP of -1.50, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4,5-triol is sourced from PubChem (CID 24885981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).