[(2S,3S,4S,5R)-3,5-dihydroxy-2-methoxyoxan-4-yl] acetate

C8H14O6 — CID 102251070

IUPAC[(2S,3S,4S,5R)-3,5-dihydroxy-2-methoxyoxan-4-yl] acetate
SMILESCO[C@H]1OC[C@@H](O)[C@H](OC(C)=O)[C@@H]1O
InChIInChI=1S/C8H14O6/c1-4(9)14-7-5(10)3-13-8(12-2)6(7)11/h5-8,10-11H,3H2,1-2H3/t5-,6+,7+,8+/m1/s1
InChIKeyDOWAMUFNFMVVFD-KVPKETBZSA-N
MW206.19 g/mol
LogP-1.36
Rot. Bonds2

About [(2S,3S,4S,5R)-3,5-dihydroxy-2-methoxyoxan-4-yl] acetate

[(2S,3S,4S,5R)-3,5-dihydroxy-2-methoxyoxan-4-yl] acetate (PubChem CID 102251070) has the molecular formula C8H14O6 and a molecular weight of 206.19 g/mol. Its IUPAC name is [(2S,3S,4S,5R)-3,5-dihydroxy-2-methoxyoxan-4-yl] acetate.

Molecular Properties

Compound Name[(2S,3S,4S,5R)-3,5-dihydroxy-2-methoxyoxan-4-yl] acetate
PubChem CID102251070
Molecular FormulaC8H14O6
Molecular Weight206.19 g/mol
Exact Mass206.08
IUPAC Name[(2S,3S,4S,5R)-3,5-dihydroxy-2-methoxyoxan-4-yl] acetate
SMILESCO[C@H]1OC[C@@H](O)[C@H](OC(C)=O)[C@@H]1O
InChIInChI=1S/C8H14O6/c1-4(9)14-7-5(10)3-13-8(12-2)6(7)11/h5-8,10-11H,3H2,1-2H3/t5-,6+,7+,8+/m1/s1
InChIKeyDOWAMUFNFMVVFD-KVPKETBZSA-N
XLogP-1.36
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.19
LogP ≤ 5-1.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R,3R,4S,5S)-4,5-dihydroxy-2-methoxyoxan-3-yl] acetate
CID 14412088
(2S,3R,4S,5R)-2,4-dimethoxyoxane-3,5-diol
CID 100984386
[(2S,3S,4S,6R)-3-acetyloxy-6-[(2S,3R,4S,5S)-3,5-dihydroxy-2-methoxyoxan-4-yl]oxy-2-methyloxan-4-yl] acetate
CID 102142022
(4,5-dihydroxy-3-methoxyoxan-2-yl) acetate
CID 146954175
[(2S,3S,4R,5R)-3,4,5-trihydroxyoxan-2-yl] acetate
CID 149251667
(2R,3R,4S)-2-methoxyoxolane-3,4-diol
CID 14443636
(2R,3S,4S)-2-methoxyoxolane-3,4-diol
CID 130831872
(2S,4R,5R)-2-methoxyoxane-3,4,5-triol
CID 24802344
[(3S,4S,5R,6S)-4,6-diacetyloxy-5-hydroxyoxan-3-yl] acetate
CID 11903840
[(4S,5S,8R,8aR)-8-hydroxy-5-methoxy-2,2-dimethyl-3a,4,5,7,8,8a-hexahydro-[1,3]dioxolo[4,5-d]oxepin-4-yl] acetate
CID 58510403
[(2R,3S,4R)-4-hydroxy-2-methyloxolan-3-yl] acetate
CID 56963742
[(2S,3S,4S,5R,6R)-4-acetyloxy-5-hydroxy-6-methoxy-2-methyloxan-3-yl] acetate
CID 15043215

Frequently Asked Questions

What is the IUPAC name of [(2S,3S,4S,5R)-3,5-dihydroxy-2-methoxyoxan-4-yl] acetate?
The IUPAC name of [(2S,3S,4S,5R)-3,5-dihydroxy-2-methoxyoxan-4-yl] acetate (CID 102251070) is [(2S,3S,4S,5R)-3,5-dihydroxy-2-methoxyoxan-4-yl] acetate.
What is the SMILES notation for [(2S,3S,4S,5R)-3,5-dihydroxy-2-methoxyoxan-4-yl] acetate?
The canonical SMILES for [(2S,3S,4S,5R)-3,5-dihydroxy-2-methoxyoxan-4-yl] acetate is CO[C@H]1OC[C@@H](O)[C@H](OC(C)=O)[C@@H]1O.
What is the InChIKey of [(2S,3S,4S,5R)-3,5-dihydroxy-2-methoxyoxan-4-yl] acetate?
The InChIKey is DOWAMUFNFMVVFD-KVPKETBZSA-N. The full InChI is InChI=1S/C8H14O6/c1-4(9)14-7-5(10)3-13-8(12-2)6(7)11/h5-8,10-11H,3H2,1-2H3/t5-,6+,7+,8+/m1/s1.
What are the key properties of [(2S,3S,4S,5R)-3,5-dihydroxy-2-methoxyoxan-4-yl] acetate?
[(2S,3S,4S,5R)-3,5-dihydroxy-2-methoxyoxan-4-yl] acetate has a molecular weight of 206.19 g/mol, XLogP of -1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S,4S,5R)-3,5-dihydroxy-2-methoxyoxan-4-yl] acetate is sourced from PubChem (CID 102251070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).