(4R,5S,6R)-4,5-dimethoxy-6-(methoxymethyl)oxan-2-one

C9H16O5 — CID 14768490

IUPAC(4R,5S,6R)-4,5-dimethoxy-6-(methoxymethyl)oxan-2-one
SMILESCOC[C@H]1OC(=O)C[C@@H](OC)[C@@H]1OC
InChIInChI=1S/C9H16O5/c1-11-5-7-9(13-3)6(12-2)4-8(10)14-7/h6-7,9H,4-5H2,1-3H3/t6-,7-,9+/m1/s1
InChIKeyKDCNRSFRNPEJTQ-BHNWBGBOSA-N
MW204.22 g/mol
LogP-0.02
Rot. Bonds4

About (4R,5S,6R)-4,5-dimethoxy-6-(methoxymethyl)oxan-2-one

(4R,5S,6R)-4,5-dimethoxy-6-(methoxymethyl)oxan-2-one (PubChem CID 14768490) has the molecular formula C9H16O5 and a molecular weight of 204.22 g/mol. Its IUPAC name is (4R,5S,6R)-4,5-dimethoxy-6-(methoxymethyl)oxan-2-one.

Molecular Properties

Compound Name(4R,5S,6R)-4,5-dimethoxy-6-(methoxymethyl)oxan-2-one
PubChem CID14768490
Molecular FormulaC9H16O5
Molecular Weight204.22 g/mol
Exact Mass204.10
IUPAC Name(4R,5S,6R)-4,5-dimethoxy-6-(methoxymethyl)oxan-2-one
SMILESCOC[C@H]1OC(=O)C[C@@H](OC)[C@@H]1OC
InChIInChI=1S/C9H16O5/c1-11-5-7-9(13-3)6(12-2)4-8(10)14-7/h6-7,9H,4-5H2,1-3H3/t6-,7-,9+/m1/s1
InChIKeyKDCNRSFRNPEJTQ-BHNWBGBOSA-N
XLogP-0.02
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 5-0.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3R,4S,5R)-2-(Acetoxymethyl)-6-oxotetrahydro-2H-pyran-3,4,5-triyl triacetate
CID 11013415
D-Arabino-Hexose, 2-deoxy-, 3,4,5,6-tetraacetate
CID 18664205
d-Gluconic acid, 2,3,4,6-tetra-O-methyl-, delta-lactone
CID 589269
Hexanedioic acid, 3-methoxy-, dimethyl ester
CID 554423
Digitoxose triacetate
CID 13321355
(6-Oxooxan-2-yl)methyl acetate
CID 14354535
((2S,4R)-4-(tert-butyldimethylsilyloxy)-6-oxotetrahydro-2H-pyran-2-yl)methyl acetate
CID 16113281
2,3,4,6-Tetra-o-acetyl-d-glucono-1,5-lactone
CID 129829632
(3,4,5-Triacetyloxy-6-oxooxan-2-yl)methyl acetate
CID 14844643
[(2R,3R,4S,5R)-2,3,4-triacetyloxy-5-fluoro-6-oxohexyl] acetate
CID 53637863
[(2R,3S,4R)-2,3,4-triacetyloxy-6-fluoro-6-oxohexyl] acetate
CID 87489396
methyl (2S,3S,4R,5S)-3,4,5-triacetyloxyoxane-2-carboxylate
CID 126727520

Frequently Asked Questions

What is the IUPAC name of (4R,5S,6R)-4,5-dimethoxy-6-(methoxymethyl)oxan-2-one?
The IUPAC name of (4R,5S,6R)-4,5-dimethoxy-6-(methoxymethyl)oxan-2-one (CID 14768490) is (4R,5S,6R)-4,5-dimethoxy-6-(methoxymethyl)oxan-2-one.
What is the SMILES notation for (4R,5S,6R)-4,5-dimethoxy-6-(methoxymethyl)oxan-2-one?
The canonical SMILES for (4R,5S,6R)-4,5-dimethoxy-6-(methoxymethyl)oxan-2-one is COC[C@H]1OC(=O)C[C@@H](OC)[C@@H]1OC.
What is the InChIKey of (4R,5S,6R)-4,5-dimethoxy-6-(methoxymethyl)oxan-2-one?
The InChIKey is KDCNRSFRNPEJTQ-BHNWBGBOSA-N. The full InChI is InChI=1S/C9H16O5/c1-11-5-7-9(13-3)6(12-2)4-8(10)14-7/h6-7,9H,4-5H2,1-3H3/t6-,7-,9+/m1/s1.
What are the key properties of (4R,5S,6R)-4,5-dimethoxy-6-(methoxymethyl)oxan-2-one?
(4R,5S,6R)-4,5-dimethoxy-6-(methoxymethyl)oxan-2-one has a molecular weight of 204.22 g/mol, XLogP of -0.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S,6R)-4,5-dimethoxy-6-(methoxymethyl)oxan-2-one is sourced from PubChem (CID 14768490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).