(3S,5S)-2,2-bis(hydroxymethyl)-5-methyloxolane-3,4-diol

C7H14O5 — CID 88976557

IUPAC(3S,5S)-2,2-bis(hydroxymethyl)-5-methyloxolane-3,4-diol
SMILESC[C@@H]1OC(CO)(CO)[C@@H](O)C1O
InChIInChI=1S/C7H14O5/c1-4-5(10)6(11)7(2-8,3-9)12-4/h4-6,8-11H,2-3H2,1H3/t4-,5?,6-/m0/s1
InChIKeyVARVLLFMTAETFG-BZWZBFKDSA-N
MW178.18 g/mol
LogP-2.15
Rot. Bonds2

About (3S,5S)-2,2-bis(hydroxymethyl)-5-methyloxolane-3,4-diol

(3S,5S)-2,2-bis(hydroxymethyl)-5-methyloxolane-3,4-diol (PubChem CID 88976557) has the molecular formula C7H14O5 and a molecular weight of 178.18 g/mol. Its IUPAC name is (3S,5S)-2,2-bis(hydroxymethyl)-5-methyloxolane-3,4-diol.

Molecular Properties

Compound Name(3S,5S)-2,2-bis(hydroxymethyl)-5-methyloxolane-3,4-diol
PubChem CID88976557
Molecular FormulaC7H14O5
Molecular Weight178.18 g/mol
Exact Mass178.08
IUPAC Name(3S,5S)-2,2-bis(hydroxymethyl)-5-methyloxolane-3,4-diol
SMILESC[C@@H]1OC(CO)(CO)[C@@H](O)C1O
InChIInChI=1S/C7H14O5/c1-4-5(10)6(11)7(2-8,3-9)12-4/h4-6,8-11H,2-3H2,1H3/t4-,5?,6-/m0/s1
InChIKeyVARVLLFMTAETFG-BZWZBFKDSA-N
XLogP-2.15
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.18
LogP ≤ 5-2.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,4S,5S)-5-ethyl-2-(2-hydroxyethyl)-2-(hydroxymethyl)oxolane-3,4-diol
CID 163649978
(2S,3R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-5,5-bis(hydroxymethyl)-2-methyloxolan-3-ol
CID 90305083
(3S,5S)-6-methyloxane-2,2,3,4,5-pentol
CID 129203156
(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5S)-3,4-dihydroxy-2-(hydroxymethyl)-5-methyloxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 11834368
(3R,4S,5R,6R)-2,2-bis(hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol
CID 10804143
(3R,4R,5S,6S)-2-(hydroxymethyl)-6-methoxy-2-octadecyloxane-3,4,5-triol
CID 139609663
(2S,4R,5S)-2-methoxy-2,3,6-trimethyloxane-3,4,5-triol
CID 70800080
ethyl (2R,3R,4R,5R)-2,3,4-trihydroxy-5-methyloxolane-2-carboxylate
CID 143865006
3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-sulfanyloxan-2-yl]propanoic acid
CID 22850435
(5S,6R,7R,8R)-5-methyl-4-oxaspiro[2.5]octane-2,6,7,8-tetrol
CID 145429784
(2R,3S,4R,5S,6S)-2-ethoxy-6-methyl-2-sulfanyloxane-3,4,5-triol
CID 174689500
(2S,3R)-4-(hydroxymethyl)-2-methyloxolane-3,4-diol
CID 58502500

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-2,2-bis(hydroxymethyl)-5-methyloxolane-3,4-diol?
The IUPAC name of (3S,5S)-2,2-bis(hydroxymethyl)-5-methyloxolane-3,4-diol (CID 88976557) is (3S,5S)-2,2-bis(hydroxymethyl)-5-methyloxolane-3,4-diol.
What is the SMILES notation for (3S,5S)-2,2-bis(hydroxymethyl)-5-methyloxolane-3,4-diol?
The canonical SMILES for (3S,5S)-2,2-bis(hydroxymethyl)-5-methyloxolane-3,4-diol is C[C@@H]1OC(CO)(CO)[C@@H](O)C1O.
What is the InChIKey of (3S,5S)-2,2-bis(hydroxymethyl)-5-methyloxolane-3,4-diol?
The InChIKey is VARVLLFMTAETFG-BZWZBFKDSA-N. The full InChI is InChI=1S/C7H14O5/c1-4-5(10)6(11)7(2-8,3-9)12-4/h4-6,8-11H,2-3H2,1H3/t4-,5?,6-/m0/s1.
What are the key properties of (3S,5S)-2,2-bis(hydroxymethyl)-5-methyloxolane-3,4-diol?
(3S,5S)-2,2-bis(hydroxymethyl)-5-methyloxolane-3,4-diol has a molecular weight of 178.18 g/mol, XLogP of -2.15, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-2,2-bis(hydroxymethyl)-5-methyloxolane-3,4-diol is sourced from PubChem (CID 88976557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).