(2S,3S,6S)-2-methoxy-3-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-one

C21H24O5 — CID 11302737

IUPAC(2S,3S,6S)-2-methoxy-3-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-one
SMILESCO[C@H]1O[C@H](COCc2ccccc2)CC(=O)[C@H]1OCc1ccccc1
InChIInChI=1S/C21H24O5/c1-23-21-20(25-14-17-10-6-3-7-11-17)19(22)12-18(26-21)15-24-13-16-8-4-2-5-9-16/h2-11,18,20-21H,12-15H2,1H3/t18-,20+,21-/m0/s1
InChIKeyCVRGCXLYUKNREX-TYPHKJRUSA-N
MW356.42 g/mol
LogP3.12
Rot. Bonds8

About (2S,3S,6S)-2-methoxy-3-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-one

(2S,3S,6S)-2-methoxy-3-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-one (PubChem CID 11302737) has the molecular formula C21H24O5 and a molecular weight of 356.42 g/mol. Its IUPAC name is (2S,3S,6S)-2-methoxy-3-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-one.

Molecular Properties

Compound Name(2S,3S,6S)-2-methoxy-3-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-one
PubChem CID11302737
Molecular FormulaC21H24O5
Molecular Weight356.42 g/mol
Exact Mass356.16
IUPAC Name(2S,3S,6S)-2-methoxy-3-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-one
SMILESCO[C@H]1O[C@H](COCc2ccccc2)CC(=O)[C@H]1OCc1ccccc1
InChIInChI=1S/C21H24O5/c1-23-21-20(25-14-17-10-6-3-7-11-17)19(22)12-18(26-21)15-24-13-16-8-4-2-5-9-16/h2-11,18,20-21H,12-15H2,1H3/t18-,20+,21-/m0/s1
InChIKeyCVRGCXLYUKNREX-TYPHKJRUSA-N
XLogP3.12
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3S,4S,6S)-2-methoxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 11037694
(3S,5S)-2-methoxy-3-methyl-5-(phenylmethoxymethyl)oxolane
CID 71070891
(1R,2R,4S,6R)-2-methoxy-4-(phenylmethoxymethyl)-3,7-dioxabicyclo[4.1.0]heptane
CID 10955968
3-(phenylmethoxymethyl)-2-oxabicyclo[4.1.0]heptan-5-one
CID 15893535
(2R,3S,6S)-2-methoxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran
CID 11224624
(2R,3S,6R)-6-[dimethyl(phenyl)silyl]-3-phenylmethoxy-2-(phenylmethoxymethyl)oxan-4-one
CID 10928642
(2S,3R,4R,5R)-2,3-dimethoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane
CID 59796294
(2S,3S,4S,5S)-2-methoxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 66509215
(2R,3R,7R)-7-[[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-3-phenylmethoxy-2-(phenylmethoxymethyl)oxepan-4-one
CID 102230376
(2S,3R,4R,5S)-3-fluoro-2-methoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane
CID 118336610
(2S,3S,4S,5R,6R)-2-methoxy-3,4,5-tris(phenylmethoxy)-6-[[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]oxane
CID 101466652
(3R,4R,5R)-3-fluoro-2-methoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane
CID 126693162

Frequently Asked Questions

What is the IUPAC name of (2S,3S,6S)-2-methoxy-3-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-one?
The IUPAC name of (2S,3S,6S)-2-methoxy-3-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-one (CID 11302737) is (2S,3S,6S)-2-methoxy-3-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-one.
What is the SMILES notation for (2S,3S,6S)-2-methoxy-3-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-one?
The canonical SMILES for (2S,3S,6S)-2-methoxy-3-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-one is CO[C@H]1O[C@H](COCc2ccccc2)CC(=O)[C@H]1OCc1ccccc1.
What is the InChIKey of (2S,3S,6S)-2-methoxy-3-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-one?
The InChIKey is CVRGCXLYUKNREX-TYPHKJRUSA-N. The full InChI is InChI=1S/C21H24O5/c1-23-21-20(25-14-17-10-6-3-7-11-17)19(22)12-18(26-21)15-24-13-16-8-4-2-5-9-16/h2-11,18,20-21H,12-15H2,1H3/t18-,20+,21-/m0/s1.
What are the key properties of (2S,3S,6S)-2-methoxy-3-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-one?
(2S,3S,6S)-2-methoxy-3-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-one has a molecular weight of 356.42 g/mol, XLogP of 3.12, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,6S)-2-methoxy-3-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-one is sourced from PubChem (CID 11302737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).