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

C12H18O7 — CID 10084705

IUPAC[(2R,3S,4R)-3-acetyloxy-4-(methoxymethoxy)-3,4-dihydro-2H-pyran-2-yl]methyl acetate
SMILESCOCO[C@@H]1C=CO[C@H](COC(C)=O)[C@H]1OC(C)=O
InChIInChI=1S/C12H18O7/c1-8(13)17-6-11-12(19-9(2)14)10(4-5-16-11)18-7-15-3/h4-5,10-12H,6-7H2,1-3H3/t10-,11-,12+/m1/s1
InChIKeyOCXSRXNAJIPZGH-UTUOFQBUSA-N
MW274.27 g/mol
LogP0.38
Rot. Bonds6

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

[(2R,3S,4R)-3-acetyloxy-4-(methoxymethoxy)-3,4-dihydro-2H-pyran-2-yl]methyl acetate (PubChem CID 10084705) has the molecular formula C12H18O7 and a molecular weight of 274.27 g/mol. Its IUPAC name is [(2R,3S,4R)-3-acetyloxy-4-(methoxymethoxy)-3,4-dihydro-2H-pyran-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2R,3S,4R)-3-acetyloxy-4-(methoxymethoxy)-3,4-dihydro-2H-pyran-2-yl]methyl acetate
PubChem CID10084705
Molecular FormulaC12H18O7
Molecular Weight274.27 g/mol
Exact Mass274.11
IUPAC Name[(2R,3S,4R)-3-acetyloxy-4-(methoxymethoxy)-3,4-dihydro-2H-pyran-2-yl]methyl acetate
SMILESCOCO[C@@H]1C=CO[C@H](COC(C)=O)[C@H]1OC(C)=O
InChIInChI=1S/C12H18O7/c1-8(13)17-6-11-12(19-9(2)14)10(4-5-16-11)18-7-15-3/h4-5,10-12H,6-7H2,1-3H3/t10-,11-,12+/m1/s1
InChIKeyOCXSRXNAJIPZGH-UTUOFQBUSA-N
XLogP0.38
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

L-arabino-Hex-1-enitol, 1,5-anhydro-2,6-dideoxy-, diacetate
CID 2734733
Tri-O-acetyl-D-glucal
CID 688303
2,6-anhydro-5-deoxy-D-arabino-hex-5-enitol triacetate
CID 640125
3,4,6-Tri-O-acetylglucal
CID 102891
1,5-Dianhydro-2,6-dideoxy-L-arabino-hex-1-enitol diacetate
CID 118189
3,4-Di-O-acetyl-L-arabinal
CID 7168229
(3-acetoxy-6-hex-5-enoxy-3,6-dihydro-2H-pyran-2-yl)methyl acetate
CID 388309
[(3S,4R)-4-acetyloxy-3,4-dihydro-2H-pyran-3-yl] acetate
CID 2734730
3,4-Di-O-acetyl-d-arabinal
CID 8030588
[(3S,4R)-3,4-diacetyloxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate
CID 68047430
[(3S,4S)-3,4-diacetyloxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate
CID 24802551
AC1Lele9
CID 688127

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4R)-3-acetyloxy-4-(methoxymethoxy)-3,4-dihydro-2H-pyran-2-yl]methyl acetate?
The IUPAC name of [(2R,3S,4R)-3-acetyloxy-4-(methoxymethoxy)-3,4-dihydro-2H-pyran-2-yl]methyl acetate (CID 10084705) is [(2R,3S,4R)-3-acetyloxy-4-(methoxymethoxy)-3,4-dihydro-2H-pyran-2-yl]methyl acetate.
What is the SMILES notation for [(2R,3S,4R)-3-acetyloxy-4-(methoxymethoxy)-3,4-dihydro-2H-pyran-2-yl]methyl acetate?
The canonical SMILES for [(2R,3S,4R)-3-acetyloxy-4-(methoxymethoxy)-3,4-dihydro-2H-pyran-2-yl]methyl acetate is COCO[C@@H]1C=CO[C@H](COC(C)=O)[C@H]1OC(C)=O.
What is the InChIKey of [(2R,3S,4R)-3-acetyloxy-4-(methoxymethoxy)-3,4-dihydro-2H-pyran-2-yl]methyl acetate?
The InChIKey is OCXSRXNAJIPZGH-UTUOFQBUSA-N. The full InChI is InChI=1S/C12H18O7/c1-8(13)17-6-11-12(19-9(2)14)10(4-5-16-11)18-7-15-3/h4-5,10-12H,6-7H2,1-3H3/t10-,11-,12+/m1/s1.
What are the key properties of [(2R,3S,4R)-3-acetyloxy-4-(methoxymethoxy)-3,4-dihydro-2H-pyran-2-yl]methyl acetate?
[(2R,3S,4R)-3-acetyloxy-4-(methoxymethoxy)-3,4-dihydro-2H-pyran-2-yl]methyl acetate has a molecular weight of 274.27 g/mol, XLogP of 0.38, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4R)-3-acetyloxy-4-(methoxymethoxy)-3,4-dihydro-2H-pyran-2-yl]methyl acetate is sourced from PubChem (CID 10084705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).