[(2S,3R,4S,5R,6R)-2,4,5-trimethoxy-6-(methoxymethyl)oxan-3-yl] acetate

C12H22O7 — CID 14447784

IUPAC[(2S,3R,4S,5R,6R)-2,4,5-trimethoxy-6-(methoxymethyl)oxan-3-yl] acetate
SMILESCOC[C@H]1O[C@H](OC)[C@H](OC(C)=O)[C@@H](OC)[C@@H]1OC
InChIInChI=1S/C12H22O7/c1-7(13)18-11-10(16-4)9(15-3)8(6-14-2)19-12(11)17-5/h8-12H,6H2,1-5H3/t8-,9-,10+,11-,12+/m1/s1
InChIKeyOFTQEFGFTCTXJA-ZIQFBCGOSA-N
MW278.30 g/mol
LogP-0.03
Rot. Bonds6

About [(2S,3R,4S,5R,6R)-2,4,5-trimethoxy-6-(methoxymethyl)oxan-3-yl] acetate

[(2S,3R,4S,5R,6R)-2,4,5-trimethoxy-6-(methoxymethyl)oxan-3-yl] acetate (PubChem CID 14447784) has the molecular formula C12H22O7 and a molecular weight of 278.30 g/mol. Its IUPAC name is [(2S,3R,4S,5R,6R)-2,4,5-trimethoxy-6-(methoxymethyl)oxan-3-yl] acetate.

Molecular Properties

Compound Name[(2S,3R,4S,5R,6R)-2,4,5-trimethoxy-6-(methoxymethyl)oxan-3-yl] acetate
PubChem CID14447784
Molecular FormulaC12H22O7
Molecular Weight278.30 g/mol
Exact Mass278.14
IUPAC Name[(2S,3R,4S,5R,6R)-2,4,5-trimethoxy-6-(methoxymethyl)oxan-3-yl] acetate
SMILESCOC[C@H]1O[C@H](OC)[C@H](OC(C)=O)[C@@H](OC)[C@@H]1OC
InChIInChI=1S/C12H22O7/c1-7(13)18-11-10(16-4)9(15-3)8(6-14-2)19-12(11)17-5/h8-12H,6H2,1-5H3/t8-,9-,10+,11-,12+/m1/s1
InChIKeyOFTQEFGFTCTXJA-ZIQFBCGOSA-N
XLogP-0.03
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 5-0.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [(2S,3R,4S,5R,6R)-2,4,5-trimethoxy-6-(methoxymethyl)oxan-3-yl] acetate with MolForge

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Related Compounds

[(2R,3R,4S,5S,6S)-5-acetyloxy-3,4,6-trimethoxyoxan-2-yl]methyl acetate
CID 22214452
[(2R,3R,4S,5S,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl] acetate
CID 23253170
[(2R,3R,4S,5R,6S)-4,5,6-triacetyloxy-2-(methoxymethyl)oxan-3-yl] acetate
CID 91751777
[(2S,3R,4R,5S)-4,5,6-triacetyloxy-2-(methoxymethyl)oxan-3-yl] acetate
CID 131709256
[3-[acetyl(methyl)amino]-2,5-dimethoxy-6-(methoxymethyl)oxan-4-yl] acetate
CID 575303
(2R,3R,4S,5S,6R)-2,3,4,5-tetramethoxy-6-(methoxymethyl)oxane
CID 12900878
[(2S,5R)-3,4-diacetyloxy-5-methoxyoxolan-2-yl]methyl acetate
CID 129207028
[(2S,3S,4S,5S,6S)-3,4,5-triacetyloxy-6-methoxyoxan-2-yl]methyl acetate
CID 71771975
[(3R,4S,6S)-3,4,5-triacetyloxy-6-methoxyoxan-2-yl]methyl acetate
CID 70864054
[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-methoxyoxan-2-yl]methyl acetate
CID 2795017
[(2R,3R,4S,5R,6S)-6-hydroxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl] acetate
CID 14337642
[(3R)-3,4,5-triacetyloxy-6-methoxyoxan-2-yl]methyl acetate
CID 45050578

Frequently Asked Questions

What is the IUPAC name of [(2S,3R,4S,5R,6R)-2,4,5-trimethoxy-6-(methoxymethyl)oxan-3-yl] acetate?
The IUPAC name of [(2S,3R,4S,5R,6R)-2,4,5-trimethoxy-6-(methoxymethyl)oxan-3-yl] acetate (CID 14447784) is [(2S,3R,4S,5R,6R)-2,4,5-trimethoxy-6-(methoxymethyl)oxan-3-yl] acetate.
What is the SMILES notation for [(2S,3R,4S,5R,6R)-2,4,5-trimethoxy-6-(methoxymethyl)oxan-3-yl] acetate?
The canonical SMILES for [(2S,3R,4S,5R,6R)-2,4,5-trimethoxy-6-(methoxymethyl)oxan-3-yl] acetate is COC[C@H]1O[C@H](OC)[C@H](OC(C)=O)[C@@H](OC)[C@@H]1OC.
What is the InChIKey of [(2S,3R,4S,5R,6R)-2,4,5-trimethoxy-6-(methoxymethyl)oxan-3-yl] acetate?
The InChIKey is OFTQEFGFTCTXJA-ZIQFBCGOSA-N. The full InChI is InChI=1S/C12H22O7/c1-7(13)18-11-10(16-4)9(15-3)8(6-14-2)19-12(11)17-5/h8-12H,6H2,1-5H3/t8-,9-,10+,11-,12+/m1/s1.
What are the key properties of [(2S,3R,4S,5R,6R)-2,4,5-trimethoxy-6-(methoxymethyl)oxan-3-yl] acetate?
[(2S,3R,4S,5R,6R)-2,4,5-trimethoxy-6-(methoxymethyl)oxan-3-yl] acetate has a molecular weight of 278.30 g/mol, XLogP of -0.03, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R,4S,5R,6R)-2,4,5-trimethoxy-6-(methoxymethyl)oxan-3-yl] acetate is sourced from PubChem (CID 14447784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).