methyl 2,3-dimethoxy-4-[(2R,3S,4S,5R,6S)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-6-carboxylate

C19H32O11 — CID 91719368

IUPACmethyl 2,3-dimethoxy-4-[(2R,3S,4S,5R,6S)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-6-carboxylate
SMILESCOC[C@@H]1O[C@@H](OC2C=C(C(=O)OC)OC(OC)C2OC)[C@@H](OC)[C@@H](OC)[C@@H]1OC
InChIInChI=1S/C19H32O11/c1-21-9-12-13(22-2)15(24-4)16(25-5)19(30-12)28-10-8-11(17(20)26-6)29-18(27-7)14(10)23-3/h8,10,12-16,18-19H,9H2,1-7H3/t10?,12-,13+,14?,15-,16-,18?,19+/m0/s1
InChIKeyKPCXSNFEUDLUAJ-KUXJTITESA-N
MW436.45 g/mol
LogP-0.14
Rot. Bonds10

About methyl 2,3-dimethoxy-4-[(2R,3S,4S,5R,6S)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-6-carboxylate

methyl 2,3-dimethoxy-4-[(2R,3S,4S,5R,6S)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-6-carboxylate (PubChem CID 91719368) has the molecular formula C19H32O11 and a molecular weight of 436.45 g/mol. Its IUPAC name is methyl 2,3-dimethoxy-4-[(2R,3S,4S,5R,6S)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-6-carboxylate.

Molecular Properties

Compound Namemethyl 2,3-dimethoxy-4-[(2R,3S,4S,5R,6S)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-6-carboxylate
PubChem CID91719368
Molecular FormulaC19H32O11
Molecular Weight436.45 g/mol
Exact Mass436.19
IUPAC Namemethyl 2,3-dimethoxy-4-[(2R,3S,4S,5R,6S)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-6-carboxylate
SMILESCOC[C@@H]1O[C@@H](OC2C=C(C(=O)OC)OC(OC)C2OC)[C@@H](OC)[C@@H](OC)[C@@H]1OC
InChIInChI=1S/C19H32O11/c1-21-9-12-13(22-2)15(24-4)16(25-5)19(30-12)28-10-8-11(17(20)26-6)29-18(27-7)14(10)23-3/h8,10,12-16,18-19H,9H2,1-7H3/t10?,12-,13+,14?,15-,16-,18?,19+/m0/s1
InChIKeyKPCXSNFEUDLUAJ-KUXJTITESA-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 2,3-dimethoxy-4-[(2R,3S,4S,5R,6S)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-6-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2,3-dimethoxy-4-[(2R,3S,4S,5R,6S)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-6-carboxylate?
The IUPAC name of methyl 2,3-dimethoxy-4-[(2R,3S,4S,5R,6S)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-6-carboxylate (CID 91719368) is methyl 2,3-dimethoxy-4-[(2R,3S,4S,5R,6S)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-6-carboxylate.
What is the SMILES notation for methyl 2,3-dimethoxy-4-[(2R,3S,4S,5R,6S)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-6-carboxylate?
The canonical SMILES for methyl 2,3-dimethoxy-4-[(2R,3S,4S,5R,6S)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-6-carboxylate is COC[C@@H]1O[C@@H](OC2C=C(C(=O)OC)OC(OC)C2OC)[C@@H](OC)[C@@H](OC)[C@@H]1OC.
What is the InChIKey of methyl 2,3-dimethoxy-4-[(2R,3S,4S,5R,6S)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-6-carboxylate?
The InChIKey is KPCXSNFEUDLUAJ-KUXJTITESA-N. The full InChI is InChI=1S/C19H32O11/c1-21-9-12-13(22-2)15(24-4)16(25-5)19(30-12)28-10-8-11(17(20)26-6)29-18(27-7)14(10)23-3/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 2,3-dimethoxy-4-[(2R,3S,4S,5R,6S)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-6-carboxylate?
methyl 2,3-dimethoxy-4-[(2R,3S,4S,5R,6S)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-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 2,3-dimethoxy-4-[(2R,3S,4S,5R,6S)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-6-carboxylate is sourced from PubChem (CID 91719368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).