(2S,3R,4S,5R,6R)-2,4,5-trimethoxy-6-(methoxymethyl)-3-phenylmethoxyoxane

C17H26O6 — CID 70289541

IUPAC(2S,3R,4S,5R,6R)-2,4,5-trimethoxy-6-(methoxymethyl)-3-phenylmethoxyoxane
SMILESCOC[C@H]1O[C@H](OC)[C@H](OCc2ccccc2)[C@@H](OC)[C@@H]1OC
InChIInChI=1S/C17H26O6/c1-18-11-13-14(19-2)15(20-3)16(17(21-4)23-13)22-10-12-8-6-5-7-9-12/h5-9,13-17H,10-11H2,1-4H3/t13-,14-,15+,16-,17+/m1/s1
InChIKeySDAIUSNELACJDQ-UUAJXVIYSA-N
MW326.39 g/mol
LogP1.62
Rot. Bonds8

About (2S,3R,4S,5R,6R)-2,4,5-trimethoxy-6-(methoxymethyl)-3-phenylmethoxyoxane

(2S,3R,4S,5R,6R)-2,4,5-trimethoxy-6-(methoxymethyl)-3-phenylmethoxyoxane (PubChem CID 70289541) has the molecular formula C17H26O6 and a molecular weight of 326.39 g/mol. Its IUPAC name is (2S,3R,4S,5R,6R)-2,4,5-trimethoxy-6-(methoxymethyl)-3-phenylmethoxyoxane.

Molecular Properties

Compound Name(2S,3R,4S,5R,6R)-2,4,5-trimethoxy-6-(methoxymethyl)-3-phenylmethoxyoxane
PubChem CID70289541
Molecular FormulaC17H26O6
Molecular Weight326.39 g/mol
Exact Mass326.17
IUPAC Name(2S,3R,4S,5R,6R)-2,4,5-trimethoxy-6-(methoxymethyl)-3-phenylmethoxyoxane
SMILESCOC[C@H]1O[C@H](OC)[C@H](OCc2ccccc2)[C@@H](OC)[C@@H]1OC
InChIInChI=1S/C17H26O6/c1-18-11-13-14(19-2)15(20-3)16(17(21-4)23-13)22-10-12-8-6-5-7-9-12/h5-9,13-17H,10-11H2,1-4H3/t13-,14-,15+,16-,17+/m1/s1
InChIKeySDAIUSNELACJDQ-UUAJXVIYSA-N
XLogP1.62
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,3S,4S,5R,6R)-2-methoxy-6-(methoxymethyl)-3,4,5-tris(phenylmethoxy)oxane
CID 67155731
(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,4R,5S,6S)-2,4,5-trimethoxy-6-methyl-3-phenylmethoxyoxane
CID 11500331
(2S,3R,4S,5R,6R)-2-[[(2R,3R,4R,5R)-5-methoxy-3,4-bis(phenylmethoxy)oxolan-2-yl]methoxy]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 100914116
(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
(2R,3R,4S,5S,6R)-5-methoxy-2,3,4-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 165343769
[(3R,6S)-6-[[(3R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol
CID 163470543
(2R,3R,4S,5R,6S)-2-(chloromethoxymethyl)-6-methoxy-3,4,5-tris(phenylmethoxy)oxane
CID 54470697
[(2R,3R,4R)-5-methoxy-3,4-bis(phenylmethoxy)oxolan-2-yl]methanol
CID 101100529
(2S,3R,4S,5R,6S)-2-(iodomethyl)-6-methoxy-3,4,5-tris(phenylmethoxy)oxane
CID 11330611
(2R,3S,4S,5R,6S)-2-ethyl-6-methoxy-3,4,5-tris(phenylmethoxy)oxane
CID 102391808

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5R,6R)-2,4,5-trimethoxy-6-(methoxymethyl)-3-phenylmethoxyoxane?
The IUPAC name of (2S,3R,4S,5R,6R)-2,4,5-trimethoxy-6-(methoxymethyl)-3-phenylmethoxyoxane (CID 70289541) is (2S,3R,4S,5R,6R)-2,4,5-trimethoxy-6-(methoxymethyl)-3-phenylmethoxyoxane.
What is the SMILES notation for (2S,3R,4S,5R,6R)-2,4,5-trimethoxy-6-(methoxymethyl)-3-phenylmethoxyoxane?
The canonical SMILES for (2S,3R,4S,5R,6R)-2,4,5-trimethoxy-6-(methoxymethyl)-3-phenylmethoxyoxane is COC[C@H]1O[C@H](OC)[C@H](OCc2ccccc2)[C@@H](OC)[C@@H]1OC.
What is the InChIKey of (2S,3R,4S,5R,6R)-2,4,5-trimethoxy-6-(methoxymethyl)-3-phenylmethoxyoxane?
The InChIKey is SDAIUSNELACJDQ-UUAJXVIYSA-N. The full InChI is InChI=1S/C17H26O6/c1-18-11-13-14(19-2)15(20-3)16(17(21-4)23-13)22-10-12-8-6-5-7-9-12/h5-9,13-17H,10-11H2,1-4H3/t13-,14-,15+,16-,17+/m1/s1.
What are the key properties of (2S,3R,4S,5R,6R)-2,4,5-trimethoxy-6-(methoxymethyl)-3-phenylmethoxyoxane?
(2S,3R,4S,5R,6R)-2,4,5-trimethoxy-6-(methoxymethyl)-3-phenylmethoxyoxane has a molecular weight of 326.39 g/mol, XLogP of 1.62, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5R,6R)-2,4,5-trimethoxy-6-(methoxymethyl)-3-phenylmethoxyoxane is sourced from PubChem (CID 70289541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).