(3R,4R)-2-(hydroxymethyl)-4-methyloxolane-3,4-diol

C6H12O4 — CID 91418847

IUPAC(3R,4R)-2-(hydroxymethyl)-4-methyloxolane-3,4-diol
SMILESC[C@@]1(O)COC(CO)[C@H]1O
InChIInChI=1S/C6H12O4/c1-6(9)3-10-4(2-7)5(6)8/h4-5,7-9H,2-3H2,1H3/t4?,5-,6-/m1/s1
InChIKeyAAYFBWZEIFWMPD-YSLANXFLSA-N
MW148.16 g/mol
LogP-1.51
Rot. Bonds1

About (3R,4R)-2-(hydroxymethyl)-4-methyloxolane-3,4-diol

(3R,4R)-2-(hydroxymethyl)-4-methyloxolane-3,4-diol (PubChem CID 91418847) has the molecular formula C6H12O4 and a molecular weight of 148.16 g/mol. Its IUPAC name is (3R,4R)-2-(hydroxymethyl)-4-methyloxolane-3,4-diol.

Molecular Properties

Compound Name(3R,4R)-2-(hydroxymethyl)-4-methyloxolane-3,4-diol
PubChem CID91418847
Molecular FormulaC6H12O4
Molecular Weight148.16 g/mol
Exact Mass148.07
IUPAC Name(3R,4R)-2-(hydroxymethyl)-4-methyloxolane-3,4-diol
SMILESC[C@@]1(O)COC(CO)[C@H]1O
InChIInChI=1S/C6H12O4/c1-6(9)3-10-4(2-7)5(6)8/h4-5,7-9H,2-3H2,1H3/t4?,5-,6-/m1/s1
InChIKeyAAYFBWZEIFWMPD-YSLANXFLSA-N
XLogP-1.51
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 5-1.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3R,4R)-2-(hydroxymethyl)-4-methyloxolane-3,4-diol
CID 91038054
(2R,3R)-4-chloro-2-(hydroxymethyl)-4-methyloxolan-3-ol
CID 150843883
(2R,3R,4S,5R)-2-(hydroxymethyl)-5-iodooxane-3,4,5-triol
CID 91589098
(2R,4R,5S)-2-(hydroxymethyl)-4-methyloxane-3,4,5-triol
CID 91029782
(3R,4S)-2,4-dimethyloxolane-3,4-diol
CID 143327759
(2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]-2-(hydroxymethyl)oxolane-3,4-diol
CID 56997357
(4R,5S)-6-(hydroxymethyl)oxane-3,3,4,5-tetrol
CID 59927511
4-ethynyl-2-(hydroxymethyl)oxolane-3,4-diol
CID 91145820
CID 163606664
CID 163606664
2-(hydroxymethyl)-3,4,5-trimethyloxane-3,4,5-triol
CID 23530499
CID 87157763
CID 87157763
methyl (3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxane-3-carboxylate
CID 91074786

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-2-(hydroxymethyl)-4-methyloxolane-3,4-diol?
The IUPAC name of (3R,4R)-2-(hydroxymethyl)-4-methyloxolane-3,4-diol (CID 91418847) is (3R,4R)-2-(hydroxymethyl)-4-methyloxolane-3,4-diol.
What is the SMILES notation for (3R,4R)-2-(hydroxymethyl)-4-methyloxolane-3,4-diol?
The canonical SMILES for (3R,4R)-2-(hydroxymethyl)-4-methyloxolane-3,4-diol is C[C@@]1(O)COC(CO)[C@H]1O.
What is the InChIKey of (3R,4R)-2-(hydroxymethyl)-4-methyloxolane-3,4-diol?
The InChIKey is AAYFBWZEIFWMPD-YSLANXFLSA-N. The full InChI is InChI=1S/C6H12O4/c1-6(9)3-10-4(2-7)5(6)8/h4-5,7-9H,2-3H2,1H3/t4?,5-,6-/m1/s1.
What are the key properties of (3R,4R)-2-(hydroxymethyl)-4-methyloxolane-3,4-diol?
(3R,4R)-2-(hydroxymethyl)-4-methyloxolane-3,4-diol has a molecular weight of 148.16 g/mol, XLogP of -1.51, 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)-4-methyloxolane-3,4-diol is sourced from PubChem (CID 91418847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).