(2R,3S,6S)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3,6-diol

C6H10O4 — CID 70300893

IUPAC(2R,3S,6S)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3,6-diol
SMILESOC[C@H]1O[C@H](O)C=C[C@@H]1O
InChIInChI=1S/C6H10O4/c7-3-5-4(8)1-2-6(9)10-5/h1-2,4-9H,3H2/t4-,5+,6-/m0/s1
InChIKeyBSEFWMASLWWMHJ-JKUQZMGJSA-N
MW146.14 g/mol
LogP-1.39
Rot. Bonds1

About (2R,3S,6S)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3,6-diol

(2R,3S,6S)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3,6-diol (PubChem CID 70300893) has the molecular formula C6H10O4 and a molecular weight of 146.14 g/mol. Its IUPAC name is (2R,3S,6S)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3,6-diol.

Molecular Properties

Compound Name(2R,3S,6S)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3,6-diol
PubChem CID70300893
Molecular FormulaC6H10O4
Molecular Weight146.14 g/mol
Exact Mass146.06
IUPAC Name(2R,3S,6S)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3,6-diol
SMILESOC[C@H]1O[C@H](O)C=C[C@@H]1O
InChIInChI=1S/C6H10O4/c7-3-5-4(8)1-2-6(9)10-5/h1-2,4-9H,3H2/t4-,5+,6-/m0/s1
InChIKeyBSEFWMASLWWMHJ-JKUQZMGJSA-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2R,3R,6R)-3-hydroxy-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-carbonitrile
CID 131854612
(2R)-2-(hydroxymethyl)-2,3-dihydrofuran-3-ol
CID 163959935
(2R,3S)-2-(hydroxymethyl)-6-(hydroxysulfamoylamino)-3,6-dihydro-2H-pyran-3-ol
CID 118716999
(2R,3S,6S)-2-(hydroxymethyl)-6-(4-methylphenyl)-3,6-dihydro-2H-pyran-3-ol
CID 101460016
(2S,3R,4R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 173365188
(2S,3R,4S,5R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 69447261
(2R,3R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 130395874
ethyl 2,2-difluoro-2-[(2R,3S)-3-hydroxy-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetate
CID 102286206
4-hydroxy-N-[(2R,3S)-3-hydroxy-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]benzenesulfonamide
CID 155531090
(3S,4R)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4-diol;methane
CID 159753385
(2S)-4-(hydroxymethyl)oxetane-2,3-diol
CID 130341188
(2R,3S,5S,6R)-2,6-bis(hydroxymethyl)oxane-3,4,5-triol
CID 146048165

Frequently Asked Questions

What is the IUPAC name of (2R,3S,6S)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3,6-diol?
The IUPAC name of (2R,3S,6S)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3,6-diol (CID 70300893) is (2R,3S,6S)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3,6-diol.
What is the SMILES notation for (2R,3S,6S)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3,6-diol?
The canonical SMILES for (2R,3S,6S)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3,6-diol is OC[C@H]1O[C@H](O)C=C[C@@H]1O.
What is the InChIKey of (2R,3S,6S)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3,6-diol?
The InChIKey is BSEFWMASLWWMHJ-JKUQZMGJSA-N. The full InChI is InChI=1S/C6H10O4/c7-3-5-4(8)1-2-6(9)10-5/h1-2,4-9H,3H2/t4-,5+,6-/m0/s1.
What are the key properties of (2R,3S,6S)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3,6-diol?
(2R,3S,6S)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3,6-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 (2R,3S,6S)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3,6-diol is sourced from PubChem (CID 70300893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).