(2R,3S,5S,6R)-2-methoxy-6-[3-[(2R,3S,5S,6R)-6-methoxy-3,5-dimethyl-4-oxooxan-2-yl]propyl]-3,5-dimethyloxan-4-one

C19H32O6 — CID 24763934

IUPAC(2R,3S,5S,6R)-2-methoxy-6-[3-[(2R,3S,5S,6R)-6-methoxy-3,5-dimethyl-4-oxooxan-2-yl]propyl]-3,5-dimethyloxan-4-one
SMILESCO[C@@H]1O[C@H](CCC[C@H]2O[C@@H](OC)[C@H](C)C(=O)[C@H]2C)[C@H](C)C(=O)[C@H]1C
InChIInChI=1S/C19H32O6/c1-10-14(24-18(22-5)12(3)16(10)20)8-7-9-15-11(2)17(21)13(4)19(23-6)25-15/h10-15,18-19H,7-9H2,1-6H3/t10-,11-,12+,13+,14+,15+,18+,19+/m0/s1
InChIKeyPTPCGUNIIVWFLA-SQXFOZHVSA-N
MW356.46 g/mol
LogP2.58
Rot. Bonds6

About (2R,3S,5S,6R)-2-methoxy-6-[3-[(2R,3S,5S,6R)-6-methoxy-3,5-dimethyl-4-oxooxan-2-yl]propyl]-3,5-dimethyloxan-4-one

(2R,3S,5S,6R)-2-methoxy-6-[3-[(2R,3S,5S,6R)-6-methoxy-3,5-dimethyl-4-oxooxan-2-yl]propyl]-3,5-dimethyloxan-4-one (PubChem CID 24763934) has the molecular formula C19H32O6 and a molecular weight of 356.46 g/mol. Its IUPAC name is (2R,3S,5S,6R)-2-methoxy-6-[3-[(2R,3S,5S,6R)-6-methoxy-3,5-dimethyl-4-oxooxan-2-yl]propyl]-3,5-dimethyloxan-4-one.

Molecular Properties

Compound Name(2R,3S,5S,6R)-2-methoxy-6-[3-[(2R,3S,5S,6R)-6-methoxy-3,5-dimethyl-4-oxooxan-2-yl]propyl]-3,5-dimethyloxan-4-one
PubChem CID24763934
Molecular FormulaC19H32O6
Molecular Weight356.46 g/mol
Exact Mass356.22
IUPAC Name(2R,3S,5S,6R)-2-methoxy-6-[3-[(2R,3S,5S,6R)-6-methoxy-3,5-dimethyl-4-oxooxan-2-yl]propyl]-3,5-dimethyloxan-4-one
SMILESCO[C@@H]1O[C@H](CCC[C@H]2O[C@@H](OC)[C@H](C)C(=O)[C@H]2C)[C@H](C)C(=O)[C@H]1C
InChIInChI=1S/C19H32O6/c1-10-14(24-18(22-5)12(3)16(10)20)8-7-9-15-11(2)17(21)13(4)19(23-6)25-15/h10-15,18-19H,7-9H2,1-6H3/t10-,11-,12+,13+,14+,15+,18+,19+/m0/s1
InChIKeyPTPCGUNIIVWFLA-SQXFOZHVSA-N
XLogP2.58
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2R,3S,5S,6R)-2-methoxy-6-[3-[(2R,3S,5S,6R)-6-methoxy-3,5-dimethyl-4-oxooxan-2-yl]propyl]-3,5-dimethyloxan-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,5S,6R)-2-methoxy-6-[3-[(2R,3S,5S,6R)-6-methoxy-3,5-dimethyl-4-oxooxan-2-yl]propyl]-3,5-dimethyloxan-4-one?
The IUPAC name of (2R,3S,5S,6R)-2-methoxy-6-[3-[(2R,3S,5S,6R)-6-methoxy-3,5-dimethyl-4-oxooxan-2-yl]propyl]-3,5-dimethyloxan-4-one (CID 24763934) is (2R,3S,5S,6R)-2-methoxy-6-[3-[(2R,3S,5S,6R)-6-methoxy-3,5-dimethyl-4-oxooxan-2-yl]propyl]-3,5-dimethyloxan-4-one.
What is the SMILES notation for (2R,3S,5S,6R)-2-methoxy-6-[3-[(2R,3S,5S,6R)-6-methoxy-3,5-dimethyl-4-oxooxan-2-yl]propyl]-3,5-dimethyloxan-4-one?
The canonical SMILES for (2R,3S,5S,6R)-2-methoxy-6-[3-[(2R,3S,5S,6R)-6-methoxy-3,5-dimethyl-4-oxooxan-2-yl]propyl]-3,5-dimethyloxan-4-one is CO[C@@H]1O[C@H](CCC[C@H]2O[C@@H](OC)[C@H](C)C(=O)[C@H]2C)[C@H](C)C(=O)[C@H]1C.
What is the InChIKey of (2R,3S,5S,6R)-2-methoxy-6-[3-[(2R,3S,5S,6R)-6-methoxy-3,5-dimethyl-4-oxooxan-2-yl]propyl]-3,5-dimethyloxan-4-one?
The InChIKey is PTPCGUNIIVWFLA-SQXFOZHVSA-N. The full InChI is InChI=1S/C19H32O6/c1-10-14(24-18(22-5)12(3)16(10)20)8-7-9-15-11(2)17(21)13(4)19(23-6)25-15/h10-15,18-19H,7-9H2,1-6H3/t10-,11-,12+,13+,14+,15+,18+,19+/m0/s1.
What are the key properties of (2R,3S,5S,6R)-2-methoxy-6-[3-[(2R,3S,5S,6R)-6-methoxy-3,5-dimethyl-4-oxooxan-2-yl]propyl]-3,5-dimethyloxan-4-one?
(2R,3S,5S,6R)-2-methoxy-6-[3-[(2R,3S,5S,6R)-6-methoxy-3,5-dimethyl-4-oxooxan-2-yl]propyl]-3,5-dimethyloxan-4-one has a molecular weight of 356.46 g/mol, XLogP of 2.58, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5S,6R)-2-methoxy-6-[3-[(2R,3S,5S,6R)-6-methoxy-3,5-dimethyl-4-oxooxan-2-yl]propyl]-3,5-dimethyloxan-4-one is sourced from PubChem (CID 24763934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).