[(2S,3S,4S,5S)-4,5-dimethoxy-2-methyloxan-3-yl] acetate

C10H18O5 — CID 101103796

IUPAC[(2S,3S,4S,5S)-4,5-dimethoxy-2-methyloxan-3-yl] acetate
SMILESCO[C@@H]1[C@@H](OC(C)=O)[C@H](C)OC[C@@H]1OC
InChIInChI=1S/C10H18O5/c1-6-9(15-7(2)11)10(13-4)8(12-3)5-14-6/h6,8-10H,5H2,1-4H3/t6-,8-,9-,10-/m0/s1
InChIKeyOXXJBRPRCDPQNS-LKEDHPFLSA-N
MW218.25 g/mol
LogP0.37
Rot. Bonds3

About [(2S,3S,4S,5S)-4,5-dimethoxy-2-methyloxan-3-yl] acetate

[(2S,3S,4S,5S)-4,5-dimethoxy-2-methyloxan-3-yl] acetate (PubChem CID 101103796) has the molecular formula C10H18O5 and a molecular weight of 218.25 g/mol. Its IUPAC name is [(2S,3S,4S,5S)-4,5-dimethoxy-2-methyloxan-3-yl] acetate.

Molecular Properties

Compound Name[(2S,3S,4S,5S)-4,5-dimethoxy-2-methyloxan-3-yl] acetate
PubChem CID101103796
Molecular FormulaC10H18O5
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Name[(2S,3S,4S,5S)-4,5-dimethoxy-2-methyloxan-3-yl] acetate
SMILESCO[C@@H]1[C@@H](OC(C)=O)[C@H](C)OC[C@@H]1OC
InChIInChI=1S/C10H18O5/c1-6-9(15-7(2)11)10(13-4)8(12-3)5-14-6/h6,8-10H,5H2,1-4H3/t6-,8-,9-,10-/m0/s1
InChIKeyOXXJBRPRCDPQNS-LKEDHPFLSA-N
XLogP0.37
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R,3R,4S,5R)-2-acetyloxy-4,5-dimethoxyoxan-3-yl] acetate
CID 139499665
[(4S,5R,6S)-4,5-diacetyloxy-6-methyloxan-3-yl] acetate
CID 163908102
(4-acetyloxy-3,5-dimethoxyoxan-2-yl)methyl acetate
CID 526606
[(3R,4S,5R,6S)-5-acetyloxy-4,6-dimethoxyoxan-3-yl] acetate
CID 22212825
[(2R,3R,4R,5S)-3,4-diacetyloxy-5-methoxyoxan-2-yl]methyl acetate
CID 6428063
[(2R,3S,4R)-4-hydroxy-2-methyloxolan-3-yl] acetate
CID 56963742
[(3R,5R,6R)-5,6-diacetyloxy-4-methoxy-2-methyloxan-3-yl] acetate
CID 45050652
[(3R,4S,5S)-4-acetyloxy-5-methoxyoxan-3-yl] acetate
CID 6428305
[(2R,3R,4R,5S)-4,5-dimethoxy-2-(propoxymethyl)oxan-3-yl] acetate
CID 16745162
(4,5-dihydroxy-2-methyloxan-3-yl) acetate
CID 134971555
[(2S,3R,4S)-2-[(1R)-1-acetyloxyethyl]-4-methoxyoxolan-3-yl] acetate
CID 6428079
[(2R,3R,4S,5S,6S)-4,5,6-trimethoxy-2-methyloxan-3-yl] acetate
CID 22214876

Frequently Asked Questions

What is the IUPAC name of [(2S,3S,4S,5S)-4,5-dimethoxy-2-methyloxan-3-yl] acetate?
The IUPAC name of [(2S,3S,4S,5S)-4,5-dimethoxy-2-methyloxan-3-yl] acetate (CID 101103796) is [(2S,3S,4S,5S)-4,5-dimethoxy-2-methyloxan-3-yl] acetate.
What is the SMILES notation for [(2S,3S,4S,5S)-4,5-dimethoxy-2-methyloxan-3-yl] acetate?
The canonical SMILES for [(2S,3S,4S,5S)-4,5-dimethoxy-2-methyloxan-3-yl] acetate is CO[C@@H]1[C@@H](OC(C)=O)[C@H](C)OC[C@@H]1OC.
What is the InChIKey of [(2S,3S,4S,5S)-4,5-dimethoxy-2-methyloxan-3-yl] acetate?
The InChIKey is OXXJBRPRCDPQNS-LKEDHPFLSA-N. The full InChI is InChI=1S/C10H18O5/c1-6-9(15-7(2)11)10(13-4)8(12-3)5-14-6/h6,8-10H,5H2,1-4H3/t6-,8-,9-,10-/m0/s1.
What are the key properties of [(2S,3S,4S,5S)-4,5-dimethoxy-2-methyloxan-3-yl] acetate?
[(2S,3S,4S,5S)-4,5-dimethoxy-2-methyloxan-3-yl] acetate has a molecular weight of 218.25 g/mol, XLogP of 0.37, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S,4S,5S)-4,5-dimethoxy-2-methyloxan-3-yl] acetate is sourced from PubChem (CID 101103796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).