[(4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] acetate

C8H14O6 — CID 44608559

IUPAC[(4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] acetate
SMILESCC(=O)OC1C[C@@H](O)[C@H](O)[C@@H](CO)O1
InChIInChI=1S/C8H14O6/c1-4(10)13-7-2-5(11)8(12)6(3-9)14-7/h5-9,11-12H,2-3H2,1H3/t5-,6-,7?,8+/m1/s1
InChIKeyYGBMPHYPPNPODX-UQYSTIMWSA-N
MW206.19 g/mol
LogP-1.62
Rot. Bonds2

About [(4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] acetate

[(4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] acetate (PubChem CID 44608559) has the molecular formula C8H14O6 and a molecular weight of 206.19 g/mol. Its IUPAC name is [(4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] acetate.

Molecular Properties

Compound Name[(4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] acetate
PubChem CID44608559
Molecular FormulaC8H14O6
Molecular Weight206.19 g/mol
Exact Mass206.08
IUPAC Name[(4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] acetate
SMILESCC(=O)OC1C[C@@H](O)[C@H](O)[C@@H](CO)O1
InChIInChI=1S/C8H14O6/c1-4(10)13-7-2-5(11)8(12)6(3-9)14-7/h5-9,11-12H,2-3H2,1H3/t5-,6-,7?,8+/m1/s1
InChIKeyYGBMPHYPPNPODX-UQYSTIMWSA-N
XLogP-1.62
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.19
LogP ≤ 5-1.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl] acetate
CID 90165528
(3S,4S,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol
CID 58863017
(2R,3S,4R,6S)-6-[(2S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
CID 123765086
(2R,3S,4R)-6-[(2S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
CID 146216338
[(2S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] N-propylcarbamate
CID 167273252
[(3S,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl] acetate
CID 56621960
6-[(2R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-one
CID 178052000
(2R,4R)-6-aminooxy-2-(hydroxymethyl)oxane-3,4-diol
CID 176683102
[(2R,3R,4S,5S,6R)-3-acetyloxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] acetate
CID 56627042
[(3R,4S,5R,6R)-2,3-diacetyloxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl] acetate
CID 70122725
2-(hydroxymethyl)-6-propoxyoxane-3,4-diol
CID 154980808
(2R,3R,4S,5S,6R)-2-[(2R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 91859061

Frequently Asked Questions

What is the IUPAC name of [(4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] acetate?
The IUPAC name of [(4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] acetate (CID 44608559) is [(4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] acetate.
What is the SMILES notation for [(4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] acetate?
The canonical SMILES for [(4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] acetate is CC(=O)OC1C[C@@H](O)[C@H](O)[C@@H](CO)O1.
What is the InChIKey of [(4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] acetate?
The InChIKey is YGBMPHYPPNPODX-UQYSTIMWSA-N. The full InChI is InChI=1S/C8H14O6/c1-4(10)13-7-2-5(11)8(12)6(3-9)14-7/h5-9,11-12H,2-3H2,1H3/t5-,6-,7?,8+/m1/s1.
What are the key properties of [(4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] acetate?
[(4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] acetate has a molecular weight of 206.19 g/mol, XLogP of -1.62, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] acetate is sourced from PubChem (CID 44608559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).