[(4R,5S)-4-(hydroxymethyl)-1,3-dioxan-5-yl]methanol

C6H12O4 — CID 131057194

IUPAC[(4R,5S)-4-(hydroxymethyl)-1,3-dioxan-5-yl]methanol
SMILESOC[C@H]1COCO[C@H]1CO
InChIInChI=1S/C6H12O4/c7-1-5-3-9-4-10-6(5)2-8/h5-8H,1-4H2/t5-,6-/m0/s1
InChIKeyHKYOBQNCGXWHRL-WDSKDSINSA-N
MW148.16 g/mol
LogP-1.04
Rot. Bonds2

About [(4R,5S)-4-(hydroxymethyl)-1,3-dioxan-5-yl]methanol

[(4R,5S)-4-(hydroxymethyl)-1,3-dioxan-5-yl]methanol (PubChem CID 131057194) has the molecular formula C6H12O4 and a molecular weight of 148.16 g/mol. Its IUPAC name is [(4R,5S)-4-(hydroxymethyl)-1,3-dioxan-5-yl]methanol.

Molecular Properties

Compound Name[(4R,5S)-4-(hydroxymethyl)-1,3-dioxan-5-yl]methanol
PubChem CID131057194
Molecular FormulaC6H12O4
Molecular Weight148.16 g/mol
Exact Mass148.07
IUPAC Name[(4R,5S)-4-(hydroxymethyl)-1,3-dioxan-5-yl]methanol
SMILESOC[C@H]1COCO[C@H]1CO
InChIInChI=1S/C6H12O4/c7-1-5-3-9-4-10-6(5)2-8/h5-8H,1-4H2/t5-,6-/m0/s1
InChIKeyHKYOBQNCGXWHRL-WDSKDSINSA-N
XLogP-1.04
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(4R,4aR,8aR)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]methanol
CID 130978557
[(4R,8R,8aR)-4-(hydroxymethyl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-8-yl]methanol
CID 163521645
[(3R,4S)-4-aminooxolan-3-yl]methanol
CID 131463106
(4-methyloxolan-3-yl)methanol
CID 53402099
[(3R,4S)-4-methyloxolan-3-yl]methanol
CID 95165244
2-(1,3-dioxolan-4-yl)-2-methylpropan-1-ol
CID 56996768
(3-prop-2-enyloxetan-2-yl)methanol
CID 69422031
(2R,3R,4R,5S)-5-(aminomethyl)-2-(hydroxymethyl)oxane-3,4-diol
CID 167408601
(3R,4R,5S,6R,7S)-7-(hydroxymethyl)oxocane-3,4,5,6-tetrol
CID 7784271
4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-6-ylmethanol
CID 102221162
(4aR,8aR)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine
CID 13133853
(3-ethyloxolan-2-yl)methanol
CID 139662526

Frequently Asked Questions

What is the IUPAC name of [(4R,5S)-4-(hydroxymethyl)-1,3-dioxan-5-yl]methanol?
The IUPAC name of [(4R,5S)-4-(hydroxymethyl)-1,3-dioxan-5-yl]methanol (CID 131057194) is [(4R,5S)-4-(hydroxymethyl)-1,3-dioxan-5-yl]methanol.
What is the SMILES notation for [(4R,5S)-4-(hydroxymethyl)-1,3-dioxan-5-yl]methanol?
The canonical SMILES for [(4R,5S)-4-(hydroxymethyl)-1,3-dioxan-5-yl]methanol is OC[C@H]1COCO[C@H]1CO.
What is the InChIKey of [(4R,5S)-4-(hydroxymethyl)-1,3-dioxan-5-yl]methanol?
The InChIKey is HKYOBQNCGXWHRL-WDSKDSINSA-N. The full InChI is InChI=1S/C6H12O4/c7-1-5-3-9-4-10-6(5)2-8/h5-8H,1-4H2/t5-,6-/m0/s1.
What are the key properties of [(4R,5S)-4-(hydroxymethyl)-1,3-dioxan-5-yl]methanol?
[(4R,5S)-4-(hydroxymethyl)-1,3-dioxan-5-yl]methanol has a molecular weight of 148.16 g/mol, XLogP of -1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,5S)-4-(hydroxymethyl)-1,3-dioxan-5-yl]methanol is sourced from PubChem (CID 131057194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).