[(2R,3S,4S,5R,6S)-6-(hydroxymethyl)-6-methoxy-3,5-dimethyl-4-phenylmethoxyoxan-2-yl]methanol

C17H26O5 — CID 132850641

IUPAC[(2R,3S,4S,5R,6S)-6-(hydroxymethyl)-6-methoxy-3,5-dimethyl-4-phenylmethoxyoxan-2-yl]methanol
SMILESCO[C@]1(CO)O[C@@H](CO)[C@@H](C)[C@H](OCc2ccccc2)[C@H]1C
InChIInChI=1S/C17H26O5/c1-12-15(9-18)22-17(11-19,20-3)13(2)16(12)21-10-14-7-5-4-6-8-14/h4-8,12-13,15-16,18-19H,9-11H2,1-3H3/t12-,13-,15+,16+,17-/m1/s1
InChIKeyMZVLAYHASMOAHW-DRANZPFZSA-N
MW310.39 g/mol
LogP1.57
Rot. Bonds6

About [(2R,3S,4S,5R,6S)-6-(hydroxymethyl)-6-methoxy-3,5-dimethyl-4-phenylmethoxyoxan-2-yl]methanol

[(2R,3S,4S,5R,6S)-6-(hydroxymethyl)-6-methoxy-3,5-dimethyl-4-phenylmethoxyoxan-2-yl]methanol (PubChem CID 132850641) has the molecular formula C17H26O5 and a molecular weight of 310.39 g/mol. Its IUPAC name is [(2R,3S,4S,5R,6S)-6-(hydroxymethyl)-6-methoxy-3,5-dimethyl-4-phenylmethoxyoxan-2-yl]methanol.

Molecular Properties

Compound Name[(2R,3S,4S,5R,6S)-6-(hydroxymethyl)-6-methoxy-3,5-dimethyl-4-phenylmethoxyoxan-2-yl]methanol
PubChem CID132850641
Molecular FormulaC17H26O5
Molecular Weight310.39 g/mol
Exact Mass310.18
IUPAC Name[(2R,3S,4S,5R,6S)-6-(hydroxymethyl)-6-methoxy-3,5-dimethyl-4-phenylmethoxyoxan-2-yl]methanol
SMILESCO[C@]1(CO)O[C@@H](CO)[C@@H](C)[C@H](OCc2ccccc2)[C@H]1C
InChIInChI=1S/C17H26O5/c1-12-15(9-18)22-17(11-19,20-3)13(2)16(12)21-10-14-7-5-4-6-8-14/h4-8,12-13,15-16,18-19H,9-11H2,1-3H3/t12-,13-,15+,16+,17-/m1/s1
InChIKeyMZVLAYHASMOAHW-DRANZPFZSA-N
XLogP1.57
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(2R,3S,4S,5R,6S)-6-(hydroxymethyl)-6-methoxy-3,5-dimethyl-4-phenylmethoxyoxan-2-yl]methanol with MolForge

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Related Compounds

[(2R,3R,4S,5S)-5-methoxy-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]methanol
CID 18647750
[(2S,4S,6S)-3-methyl-6-phenyl-4,5-bis(phenylmethoxy)oxan-2-yl]methanol
CID 90128354
[(3R,4S,6S)-5,6-dimethyl-3,4-bis(phenylmethoxy)oxan-2-yl]methanol
CID 90698925
[5,6-dimethyl-3,4-bis(phenylmethoxy)oxan-2-yl]methanol
CID 76600599
[(2S,3S,4R,5S,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol
CID 170405483
[(2R,3R,4R)-5-methoxy-3,4-bis(phenylmethoxy)oxolan-2-yl]methanol
CID 101100529
(2R,3R,4S,5R)-2-(hydroxymethyl)-5-methyl-4-phenylmethoxyoxolan-3-ol
CID 58747870
[(2S,3R,4S,5S)-4-methoxy-5-methyl-3-phenylmethoxyoxan-2-yl]methanol
CID 67672097
[(3R,4S,6R)-6-[(2R,5S)-6-(hydroxymethyl)-3-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-3-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]methanol
CID 70905902
[(2R,3R,4S,5R)-5-(bromomethyl)-3,4-bis(phenylmethoxy)oxolan-2-yl]methanol
CID 13009797
[(2R,3R,4R,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol
CID 23245862
[(3R,4R,5S,6R)-6-ethyl-5-methyl-4-phenylmethoxyoxan-3-yl]methanol
CID 174153826

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4S,5R,6S)-6-(hydroxymethyl)-6-methoxy-3,5-dimethyl-4-phenylmethoxyoxan-2-yl]methanol?
The IUPAC name of [(2R,3S,4S,5R,6S)-6-(hydroxymethyl)-6-methoxy-3,5-dimethyl-4-phenylmethoxyoxan-2-yl]methanol (CID 132850641) is [(2R,3S,4S,5R,6S)-6-(hydroxymethyl)-6-methoxy-3,5-dimethyl-4-phenylmethoxyoxan-2-yl]methanol.
What is the SMILES notation for [(2R,3S,4S,5R,6S)-6-(hydroxymethyl)-6-methoxy-3,5-dimethyl-4-phenylmethoxyoxan-2-yl]methanol?
The canonical SMILES for [(2R,3S,4S,5R,6S)-6-(hydroxymethyl)-6-methoxy-3,5-dimethyl-4-phenylmethoxyoxan-2-yl]methanol is CO[C@]1(CO)O[C@@H](CO)[C@@H](C)[C@H](OCc2ccccc2)[C@H]1C.
What is the InChIKey of [(2R,3S,4S,5R,6S)-6-(hydroxymethyl)-6-methoxy-3,5-dimethyl-4-phenylmethoxyoxan-2-yl]methanol?
The InChIKey is MZVLAYHASMOAHW-DRANZPFZSA-N. The full InChI is InChI=1S/C17H26O5/c1-12-15(9-18)22-17(11-19,20-3)13(2)16(12)21-10-14-7-5-4-6-8-14/h4-8,12-13,15-16,18-19H,9-11H2,1-3H3/t12-,13-,15+,16+,17-/m1/s1.
What are the key properties of [(2R,3S,4S,5R,6S)-6-(hydroxymethyl)-6-methoxy-3,5-dimethyl-4-phenylmethoxyoxan-2-yl]methanol?
[(2R,3S,4S,5R,6S)-6-(hydroxymethyl)-6-methoxy-3,5-dimethyl-4-phenylmethoxyoxan-2-yl]methanol has a molecular weight of 310.39 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4S,5R,6S)-6-(hydroxymethyl)-6-methoxy-3,5-dimethyl-4-phenylmethoxyoxan-2-yl]methanol is sourced from PubChem (CID 132850641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).