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

C7H14O4 — CID 159753385

IUPAC(3S,4R)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4-diol;methane
SMILESC.OCC1OC=C[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H10O4.CH4/c7-3-5-6(9)4(8)1-2-10-5;/h1-2,4-9H,3H2;1H4/t4-,5?,6+;/m1./s1
InChIKeyNDYDLGIBIHTIPX-KQWAVXQLSA-N
MW162.19 g/mol
LogP-0.75
Rot. Bonds1

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

(3S,4R)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4-diol;methane (PubChem CID 159753385) has the molecular formula C7H14O4 and a molecular weight of 162.19 g/mol. Its IUPAC name is (3S,4R)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4-diol;methane.

Molecular Properties

Compound Name(3S,4R)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4-diol;methane
PubChem CID159753385
Molecular FormulaC7H14O4
Molecular Weight162.19 g/mol
Exact Mass162.09
IUPAC Name(3S,4R)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4-diol;methane
SMILESC.OCC1OC=C[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H10O4.CH4/c7-3-5-6(9)4(8)1-2-10-5;/h1-2,4-9H,3H2;1H4/t4-,5?,6+;/m1./s1
InChIKeyNDYDLGIBIHTIPX-KQWAVXQLSA-N
XLogP-0.75
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 5-0.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(hydroxymethyl)-2,3-dihydrofuran-3-ol
CID 163959935
(2R,3S,4R)-2-ethyl-3,4-dihydro-2H-pyran-3,4-diol
CID 118517723
glucopyranosyl radical
CID 57450511
(3R,4R)-3-azido-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-4-ol
CID 160728491
(2R,3S,4S)-2-methyl-3,4-dihydro-2H-pyran-3,4-diol
CID 12816776
[(2R,3R,4R)-3,4-dihydroxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate
CID 14308101
2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4-diol;2-(4-methylphenyl)-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-ol
CID 165074829
(2R,5R)-5-(hydroxymethyl)cyclopent-3-ene-1,2-diol
CID 121320949
(2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-4-ol
CID 22859287
(3R,4S)-2-(hydroxymethyl)-4-tri(propan-2-yl)silyloxy-3,4-dihydro-2H-pyran-3-ol
CID 172642176
(2R,3S,4S)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4,5-triol
CID 24885981
(2S,3R,4S,5S,6R)-2-[[(1S,4aR,5R,7aR)-5-hydroxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 163022023

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4-diol;methane?
The IUPAC name of (3S,4R)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4-diol;methane (CID 159753385) is (3S,4R)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4-diol;methane.
What is the SMILES notation for (3S,4R)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4-diol;methane?
The canonical SMILES for (3S,4R)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4-diol;methane is C.OCC1OC=C[C@@H](O)[C@@H]1O.
What is the InChIKey of (3S,4R)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4-diol;methane?
The InChIKey is NDYDLGIBIHTIPX-KQWAVXQLSA-N. The full InChI is InChI=1S/C6H10O4.CH4/c7-3-5-6(9)4(8)1-2-10-5;/h1-2,4-9H,3H2;1H4/t4-,5?,6+;/m1./s1.
What are the key properties of (3S,4R)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4-diol;methane?
(3S,4R)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4-diol;methane has a molecular weight of 162.19 g/mol, XLogP of -0.75, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4-diol;methane is sourced from PubChem (CID 159753385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).