methyl 3,4-dimethoxy-2-[[(2S,3R,4S,5S,6S)-3,4,5,6-tetramethoxyoxan-2-yl]methoxy]-3,4-dihydro-2H-pyran-6-carboxylate

C19H32O11 — CID 91697235

IUPACmethyl 3,4-dimethoxy-2-[[(2S,3R,4S,5S,6S)-3,4,5,6-tetramethoxyoxan-2-yl]methoxy]-3,4-dihydro-2H-pyran-6-carboxylate
SMILESCOC(=O)C1=CC(OC)C(OC)C(OC[C@@H]2O[C@H](OC)[C@@H](OC)[C@@H](OC)[C@@H]2OC)O1
InChIInChI=1S/C19H32O11/c1-21-10-8-11(17(20)26-6)29-19(14(10)23-3)28-9-12-13(22-2)15(24-4)16(25-5)18(27-7)30-12/h8,10,12-16,18-19H,9H2,1-7H3/t10?,12-,13+,14?,15-,16-,18-,19?/m0/s1
InChIKeyUPLFHGAONADOHN-NDXWHGMVSA-N
MW436.45 g/mol
LogP-0.14
Rot. Bonds10

About methyl 3,4-dimethoxy-2-[[(2S,3R,4S,5S,6S)-3,4,5,6-tetramethoxyoxan-2-yl]methoxy]-3,4-dihydro-2H-pyran-6-carboxylate

methyl 3,4-dimethoxy-2-[[(2S,3R,4S,5S,6S)-3,4,5,6-tetramethoxyoxan-2-yl]methoxy]-3,4-dihydro-2H-pyran-6-carboxylate (PubChem CID 91697235) has the molecular formula C19H32O11 and a molecular weight of 436.45 g/mol. Its IUPAC name is methyl 3,4-dimethoxy-2-[[(2S,3R,4S,5S,6S)-3,4,5,6-tetramethoxyoxan-2-yl]methoxy]-3,4-dihydro-2H-pyran-6-carboxylate.

Molecular Properties

Compound Namemethyl 3,4-dimethoxy-2-[[(2S,3R,4S,5S,6S)-3,4,5,6-tetramethoxyoxan-2-yl]methoxy]-3,4-dihydro-2H-pyran-6-carboxylate
PubChem CID91697235
Molecular FormulaC19H32O11
Molecular Weight436.45 g/mol
Exact Mass436.19
IUPAC Namemethyl 3,4-dimethoxy-2-[[(2S,3R,4S,5S,6S)-3,4,5,6-tetramethoxyoxan-2-yl]methoxy]-3,4-dihydro-2H-pyran-6-carboxylate
SMILESCOC(=O)C1=CC(OC)C(OC)C(OC[C@@H]2O[C@H](OC)[C@@H](OC)[C@@H](OC)[C@@H]2OC)O1
InChIInChI=1S/C19H32O11/c1-21-10-8-11(17(20)26-6)29-19(14(10)23-3)28-9-12-13(22-2)15(24-4)16(25-5)18(27-7)30-12/h8,10,12-16,18-19H,9H2,1-7H3/t10?,12-,13+,14?,15-,16-,18-,19?/m0/s1
InChIKeyUPLFHGAONADOHN-NDXWHGMVSA-N
XLogP-0.14
TPSA109.37 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.45
LogP ≤ 5-0.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze methyl 3,4-dimethoxy-2-[[(2S,3R,4S,5S,6S)-3,4,5,6-tetramethoxyoxan-2-yl]methoxy]-3,4-dihydro-2H-pyran-6-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 3,4-dimethoxy-2-[[(2S,3R,4S,5S,6S)-3,4,5,6-tetramethoxyoxan-2-yl]methoxy]-3,4-dihydro-2H-pyran-6-carboxylate?
The IUPAC name of methyl 3,4-dimethoxy-2-[[(2S,3R,4S,5S,6S)-3,4,5,6-tetramethoxyoxan-2-yl]methoxy]-3,4-dihydro-2H-pyran-6-carboxylate (CID 91697235) is methyl 3,4-dimethoxy-2-[[(2S,3R,4S,5S,6S)-3,4,5,6-tetramethoxyoxan-2-yl]methoxy]-3,4-dihydro-2H-pyran-6-carboxylate.
What is the SMILES notation for methyl 3,4-dimethoxy-2-[[(2S,3R,4S,5S,6S)-3,4,5,6-tetramethoxyoxan-2-yl]methoxy]-3,4-dihydro-2H-pyran-6-carboxylate?
The canonical SMILES for methyl 3,4-dimethoxy-2-[[(2S,3R,4S,5S,6S)-3,4,5,6-tetramethoxyoxan-2-yl]methoxy]-3,4-dihydro-2H-pyran-6-carboxylate is COC(=O)C1=CC(OC)C(OC)C(OC[C@@H]2O[C@H](OC)[C@@H](OC)[C@@H](OC)[C@@H]2OC)O1.
What is the InChIKey of methyl 3,4-dimethoxy-2-[[(2S,3R,4S,5S,6S)-3,4,5,6-tetramethoxyoxan-2-yl]methoxy]-3,4-dihydro-2H-pyran-6-carboxylate?
The InChIKey is UPLFHGAONADOHN-NDXWHGMVSA-N. The full InChI is InChI=1S/C19H32O11/c1-21-10-8-11(17(20)26-6)29-19(14(10)23-3)28-9-12-13(22-2)15(24-4)16(25-5)18(27-7)30-12/h8,10,12-16,18-19H,9H2,1-7H3/t10?,12-,13+,14?,15-,16-,18-,19?/m0/s1.
What are the key properties of methyl 3,4-dimethoxy-2-[[(2S,3R,4S,5S,6S)-3,4,5,6-tetramethoxyoxan-2-yl]methoxy]-3,4-dihydro-2H-pyran-6-carboxylate?
methyl 3,4-dimethoxy-2-[[(2S,3R,4S,5S,6S)-3,4,5,6-tetramethoxyoxan-2-yl]methoxy]-3,4-dihydro-2H-pyran-6-carboxylate has a molecular weight of 436.45 g/mol, XLogP of -0.14, 10 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,4-dimethoxy-2-[[(2S,3R,4S,5S,6S)-3,4,5,6-tetramethoxyoxan-2-yl]methoxy]-3,4-dihydro-2H-pyran-6-carboxylate is sourced from PubChem (CID 91697235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).