(2R,3S,5R,6S)-2-(hydroxymethyl)-2-methyl-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-ol

C22H28O5 — CID 11675149

IUPAC(2R,3S,5R,6S)-2-(hydroxymethyl)-2-methyl-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-ol
SMILESC[C@]1(CO)O[C@@H](COCc2ccccc2)[C@H](OCc2ccccc2)C[C@@H]1O
InChIInChI=1S/C22H28O5/c1-22(16-23)21(24)12-19(26-14-18-10-6-3-7-11-18)20(27-22)15-25-13-17-8-4-2-5-9-17/h2-11,19-21,23-24H,12-16H2,1H3/t19-,20+,21+,22-/m1/s1
InChIKeyAKBFFSQYGOKKQS-CLAROIROSA-N
MW372.46 g/mol
LogP2.69
Rot. Bonds8

About (2R,3S,5R,6S)-2-(hydroxymethyl)-2-methyl-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-ol

(2R,3S,5R,6S)-2-(hydroxymethyl)-2-methyl-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-ol (PubChem CID 11675149) has the molecular formula C22H28O5 and a molecular weight of 372.46 g/mol. Its IUPAC name is (2R,3S,5R,6S)-2-(hydroxymethyl)-2-methyl-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-ol.

Molecular Properties

Compound Name(2R,3S,5R,6S)-2-(hydroxymethyl)-2-methyl-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-ol
PubChem CID11675149
Molecular FormulaC22H28O5
Molecular Weight372.46 g/mol
Exact Mass372.19
IUPAC Name(2R,3S,5R,6S)-2-(hydroxymethyl)-2-methyl-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-ol
SMILESC[C@]1(CO)O[C@@H](COCc2ccccc2)[C@H](OCc2ccccc2)C[C@@H]1O
InChIInChI=1S/C22H28O5/c1-22(16-23)21(24)12-19(26-14-18-10-6-3-7-11-18)20(27-22)15-25-13-17-8-4-2-5-9-17/h2-11,19-21,23-24H,12-16H2,1H3/t19-,20+,21+,22-/m1/s1
InChIKeyAKBFFSQYGOKKQS-CLAROIROSA-N
XLogP2.69
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.46
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R,3S,5R,6S)-2-(hydroxymethyl)-2-methyl-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-ol with MolForge

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Related Compounds

(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
(3R,4S,5R,6R)-2-ethyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol
CID 14445991
(2R,4aR,6S,7R,8aS)-4a-methyl-2-phenyl-7-phenylmethoxy-6-(phenylmethoxymethyl)-6,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxine
CID 11669788
(2R,4S,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane-2-carboxylic acid
CID 11382284
(3R,4S,5R,6R)-2-chloro-2-methyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 58018263
(6R,7R,8S,9R)-2,2-dimethyl-8-phenylmethoxy-6-(phenylmethoxymethyl)-5-oxaspiro[3.5]nonane-7,9-diol
CID 101011347
(2S,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol
CID 67076623
(2R,3R,4R,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol
CID 12933787
(2S,3R,4S,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol
CID 67076892
[(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]methanol
CID 175374479
2-[(4S,6S)-2,2-dimethyl-6-(phenylmethoxymethyl)-1,3-dioxan-4-yl]ethanol
CID 25058663
(2R,4R,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane-2-carbaldehyde
CID 134841401

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5R,6S)-2-(hydroxymethyl)-2-methyl-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-ol?
The IUPAC name of (2R,3S,5R,6S)-2-(hydroxymethyl)-2-methyl-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-ol (CID 11675149) is (2R,3S,5R,6S)-2-(hydroxymethyl)-2-methyl-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-ol.
What is the SMILES notation for (2R,3S,5R,6S)-2-(hydroxymethyl)-2-methyl-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-ol?
The canonical SMILES for (2R,3S,5R,6S)-2-(hydroxymethyl)-2-methyl-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-ol is C[C@]1(CO)O[C@@H](COCc2ccccc2)[C@H](OCc2ccccc2)C[C@@H]1O.
What is the InChIKey of (2R,3S,5R,6S)-2-(hydroxymethyl)-2-methyl-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-ol?
The InChIKey is AKBFFSQYGOKKQS-CLAROIROSA-N. The full InChI is InChI=1S/C22H28O5/c1-22(16-23)21(24)12-19(26-14-18-10-6-3-7-11-18)20(27-22)15-25-13-17-8-4-2-5-9-17/h2-11,19-21,23-24H,12-16H2,1H3/t19-,20+,21+,22-/m1/s1.
What are the key properties of (2R,3S,5R,6S)-2-(hydroxymethyl)-2-methyl-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-ol?
(2R,3S,5R,6S)-2-(hydroxymethyl)-2-methyl-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-ol has a molecular weight of 372.46 g/mol, XLogP of 2.69, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5R,6S)-2-(hydroxymethyl)-2-methyl-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-ol is sourced from PubChem (CID 11675149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).