[(2R,3R,4R)-3,4-dihydroxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate

C8H12O5 — CID 14308101

IUPAC[(2R,3R,4R)-3,4-dihydroxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1OC=C[C@@H](O)[C@H]1O
InChIInChI=1S/C8H12O5/c1-5(9)13-4-7-8(11)6(10)2-3-12-7/h2-3,6-8,10-11H,4H2,1H3/t6-,7-,8-/m1/s1
InChIKeyKPJBOIRHOMSEFM-BWZBUEFSSA-N
MW188.18 g/mol
LogP-0.82
Rot. Bonds2

About [(2R,3R,4R)-3,4-dihydroxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate

[(2R,3R,4R)-3,4-dihydroxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate (PubChem CID 14308101) has the molecular formula C8H12O5 and a molecular weight of 188.18 g/mol. Its IUPAC name is [(2R,3R,4R)-3,4-dihydroxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2R,3R,4R)-3,4-dihydroxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate
PubChem CID14308101
Molecular FormulaC8H12O5
Molecular Weight188.18 g/mol
Exact Mass188.07
IUPAC Name[(2R,3R,4R)-3,4-dihydroxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1OC=C[C@@H](O)[C@H]1O
InChIInChI=1S/C8H12O5/c1-5(9)13-4-7-8(11)6(10)2-3-12-7/h2-3,6-8,10-11H,4H2,1H3/t6-,7-,8-/m1/s1
InChIKeyKPJBOIRHOMSEFM-BWZBUEFSSA-N
XLogP-0.82
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R,3S,4S)-3,4-dimethyl-3,4-dihydro-2H-pyran-2-yl]methyl acetate
CID 170093751
[(2R,3S,4R)-4-(2-deuterioacetyl)oxy-3-hydroxy-3,4-dihydro-2H-pyran-2-yl]methyl 2-deuterioacetate
CID 139612461
[(2R,3S,4R)-4-hydroxy-3-phenylmethoxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate
CID 67083599
[(2R,3R,4R)-3,4-diacetyloxy-(513C)3,4-dihydro-2H-pyran-2-yl]methyl acetate
CID 118855924
[(1S,5S,6R)-5,6-dihydroxycyclohex-3-en-1-yl]methyl acetate
CID 71416773
(2R,3S,4R)-2-ethyl-3,4-dihydro-2H-pyran-3,4-diol
CID 118517723
[(2R,3R,4R)-3,4-dihydroxyoxolan-2-yl]methyl acetate
CID 21336535
[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]methyl acetate
CID 130353302
[(2R,3S,4R)-3-acetyloxy-4-cyano-3,4-dihydro-2H-pyran-2-yl]methyl acetate
CID 10399332
[(2R,3R,4R,6R)-3,4,6-trihydroxyoxan-2-yl]methyl acetate
CID 70946424
[(3S)-3-acetyloxy-6-hydroxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 70846153
[5-(acetyloxymethyl)-1,3-dioxolan-4-yl]methyl acetate
CID 14157591

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R)-3,4-dihydroxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate?
The IUPAC name of [(2R,3R,4R)-3,4-dihydroxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate (CID 14308101) is [(2R,3R,4R)-3,4-dihydroxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate.
What is the SMILES notation for [(2R,3R,4R)-3,4-dihydroxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate?
The canonical SMILES for [(2R,3R,4R)-3,4-dihydroxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate is CC(=O)OC[C@H]1OC=C[C@@H](O)[C@H]1O.
What is the InChIKey of [(2R,3R,4R)-3,4-dihydroxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate?
The InChIKey is KPJBOIRHOMSEFM-BWZBUEFSSA-N. The full InChI is InChI=1S/C8H12O5/c1-5(9)13-4-7-8(11)6(10)2-3-12-7/h2-3,6-8,10-11H,4H2,1H3/t6-,7-,8-/m1/s1.
What are the key properties of [(2R,3R,4R)-3,4-dihydroxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate?
[(2R,3R,4R)-3,4-dihydroxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate has a molecular weight of 188.18 g/mol, XLogP of -0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R)-3,4-dihydroxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate is sourced from PubChem (CID 14308101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).