(6S)-2-(hydroxymethyl)-6-methyl-1,3-dioxane-4,5-diol

C6H12O5 — CID 147021144

IUPAC(6S)-2-(hydroxymethyl)-6-methyl-1,3-dioxane-4,5-diol
SMILESC[C@@H]1OC(CO)OC(O)C1O
InChIInChI=1S/C6H12O5/c1-3-5(8)6(9)11-4(2-7)10-3/h3-9H,2H2,1H3/t3-,4?,5?,6?/m0/s1
InChIKeyAVSPBACEGZHHGA-ALMVMMGASA-N
MW164.16 g/mol
LogP-1.58
Rot. Bonds1

About (6S)-2-(hydroxymethyl)-6-methyl-1,3-dioxane-4,5-diol

(6S)-2-(hydroxymethyl)-6-methyl-1,3-dioxane-4,5-diol (PubChem CID 147021144) has the molecular formula C6H12O5 and a molecular weight of 164.16 g/mol. Its IUPAC name is (6S)-2-(hydroxymethyl)-6-methyl-1,3-dioxane-4,5-diol.

Molecular Properties

Compound Name(6S)-2-(hydroxymethyl)-6-methyl-1,3-dioxane-4,5-diol
PubChem CID147021144
Molecular FormulaC6H12O5
Molecular Weight164.16 g/mol
Exact Mass164.07
IUPAC Name(6S)-2-(hydroxymethyl)-6-methyl-1,3-dioxane-4,5-diol
SMILESC[C@@H]1OC(CO)OC(O)C1O
InChIInChI=1S/C6H12O5/c1-3-5(8)6(9)11-4(2-7)10-3/h3-9H,2H2,1H3/t3-,4?,5?,6?/m0/s1
InChIKeyAVSPBACEGZHHGA-ALMVMMGASA-N
XLogP-1.58
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 5-1.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(4,5-dimethyl-1,3-dioxolan-2-yl)methanol
CID 58896345
(2S,3R,4S,5R)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 59795634
(3S,4R)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 59039787
(3S,4S)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 146299921
(2R,4R,5R)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 157377669
(4R,5R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 143617458
(3R,4R,6R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 67472419
(3R,4S,6S)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 89126966
(2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 59116084
(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 118332787
(3R)-5-methyloxolane-2,3,4-triol
CID 59335588
(4R,5S)-4,5-bis(hydroxymethyl)-2-methyloxolan-3-ol
CID 88976527

Frequently Asked Questions

What is the IUPAC name of (6S)-2-(hydroxymethyl)-6-methyl-1,3-dioxane-4,5-diol?
The IUPAC name of (6S)-2-(hydroxymethyl)-6-methyl-1,3-dioxane-4,5-diol (CID 147021144) is (6S)-2-(hydroxymethyl)-6-methyl-1,3-dioxane-4,5-diol.
What is the SMILES notation for (6S)-2-(hydroxymethyl)-6-methyl-1,3-dioxane-4,5-diol?
The canonical SMILES for (6S)-2-(hydroxymethyl)-6-methyl-1,3-dioxane-4,5-diol is C[C@@H]1OC(CO)OC(O)C1O.
What is the InChIKey of (6S)-2-(hydroxymethyl)-6-methyl-1,3-dioxane-4,5-diol?
The InChIKey is AVSPBACEGZHHGA-ALMVMMGASA-N. The full InChI is InChI=1S/C6H12O5/c1-3-5(8)6(9)11-4(2-7)10-3/h3-9H,2H2,1H3/t3-,4?,5?,6?/m0/s1.
What are the key properties of (6S)-2-(hydroxymethyl)-6-methyl-1,3-dioxane-4,5-diol?
(6S)-2-(hydroxymethyl)-6-methyl-1,3-dioxane-4,5-diol has a molecular weight of 164.16 g/mol, XLogP of -1.58, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-(hydroxymethyl)-6-methyl-1,3-dioxane-4,5-diol is sourced from PubChem (CID 147021144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).