(2S,4S)-5,5-bis(hydroxymethyl)-2-methoxy-3-methyl-4-phenylmethoxyoxolan-3-ol

C15H22O6 — CID 155013546

IUPAC(2S,4S)-5,5-bis(hydroxymethyl)-2-methoxy-3-methyl-4-phenylmethoxyoxolan-3-ol
SMILESCO[C@H]1OC(CO)(CO)[C@@H](OCc2ccccc2)C1(C)O
InChIInChI=1S/C15H22O6/c1-14(18)12(20-8-11-6-4-3-5-7-11)15(9-16,10-17)21-13(14)19-2/h3-7,12-13,16-18H,8-10H2,1-2H3/t12-,13-,14?/m0/s1
InChIKeyMUFQWYYXYCDNGQ-RFHHWMCGSA-N
MW298.33 g/mol
LogP0.05
Rot. Bonds6

About (2S,4S)-5,5-bis(hydroxymethyl)-2-methoxy-3-methyl-4-phenylmethoxyoxolan-3-ol

(2S,4S)-5,5-bis(hydroxymethyl)-2-methoxy-3-methyl-4-phenylmethoxyoxolan-3-ol (PubChem CID 155013546) has the molecular formula C15H22O6 and a molecular weight of 298.33 g/mol. Its IUPAC name is (2S,4S)-5,5-bis(hydroxymethyl)-2-methoxy-3-methyl-4-phenylmethoxyoxolan-3-ol.

Molecular Properties

Compound Name(2S,4S)-5,5-bis(hydroxymethyl)-2-methoxy-3-methyl-4-phenylmethoxyoxolan-3-ol
PubChem CID155013546
Molecular FormulaC15H22O6
Molecular Weight298.33 g/mol
Exact Mass298.14
IUPAC Name(2S,4S)-5,5-bis(hydroxymethyl)-2-methoxy-3-methyl-4-phenylmethoxyoxolan-3-ol
SMILESCO[C@H]1OC(CO)(CO)[C@@H](OCc2ccccc2)C1(C)O
InChIInChI=1S/C15H22O6/c1-14(18)12(20-8-11-6-4-3-5-7-11)15(9-16,10-17)21-13(14)19-2/h3-7,12-13,16-18H,8-10H2,1-2H3/t12-,13-,14?/m0/s1
InChIKeyMUFQWYYXYCDNGQ-RFHHWMCGSA-N
XLogP0.05
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2S,4S)-5,5-bis(hydroxymethyl)-2-methoxy-3-methyl-4-phenylmethoxyoxolan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3aS,6aS)-5-(hydroxymethyl)-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol
CID 140862742
[5-(hydroxymethyl)-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol
CID 22177544
(3R,4S,5R,6R)-2,2-bis(hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol
CID 10804143
cis-(1S,2S)-1-methyl-2-phenylmethoxycyclobutan-1-ol
CID 167259654
1-methyl-2-phenylmethoxycyclobutan-1-ol
CID 154122310
(2R,3R,5R,6S)-1-methyl-2,3,4,5,6-pentakis(phenylmethoxy)cyclohexan-1-ol
CID 102432631
[(5S,7R,8R)-7-methoxy-8-phenylmethoxy-3,6-dioxabicyclo[3.2.1]octan-5-yl]methanol
CID 59895841
(3S,4S,5R)-5-ethyl-5-(hydroxymethyl)-4-phenylmethoxyoxolan-3-ol
CID 158000420
[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-5-(phenylmethoxymethyl)-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol
CID 70790141
[(3aR,5R,6aS)-5-ethyl-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol
CID 158868399
(3S,7R)-3-methoxy-7,8-bis(phenylmethoxy)-2-oxabicyclo[2.2.2]oct-5-en-4-ol
CID 162402275
[(3aR,6R,6aR)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol
CID 102183815

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-5,5-bis(hydroxymethyl)-2-methoxy-3-methyl-4-phenylmethoxyoxolan-3-ol?
The IUPAC name of (2S,4S)-5,5-bis(hydroxymethyl)-2-methoxy-3-methyl-4-phenylmethoxyoxolan-3-ol (CID 155013546) is (2S,4S)-5,5-bis(hydroxymethyl)-2-methoxy-3-methyl-4-phenylmethoxyoxolan-3-ol.
What is the SMILES notation for (2S,4S)-5,5-bis(hydroxymethyl)-2-methoxy-3-methyl-4-phenylmethoxyoxolan-3-ol?
The canonical SMILES for (2S,4S)-5,5-bis(hydroxymethyl)-2-methoxy-3-methyl-4-phenylmethoxyoxolan-3-ol is CO[C@H]1OC(CO)(CO)[C@@H](OCc2ccccc2)C1(C)O.
What is the InChIKey of (2S,4S)-5,5-bis(hydroxymethyl)-2-methoxy-3-methyl-4-phenylmethoxyoxolan-3-ol?
The InChIKey is MUFQWYYXYCDNGQ-RFHHWMCGSA-N. The full InChI is InChI=1S/C15H22O6/c1-14(18)12(20-8-11-6-4-3-5-7-11)15(9-16,10-17)21-13(14)19-2/h3-7,12-13,16-18H,8-10H2,1-2H3/t12-,13-,14?/m0/s1.
What are the key properties of (2S,4S)-5,5-bis(hydroxymethyl)-2-methoxy-3-methyl-4-phenylmethoxyoxolan-3-ol?
(2S,4S)-5,5-bis(hydroxymethyl)-2-methoxy-3-methyl-4-phenylmethoxyoxolan-3-ol has a molecular weight of 298.33 g/mol, XLogP of 0.05, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-5,5-bis(hydroxymethyl)-2-methoxy-3-methyl-4-phenylmethoxyoxolan-3-ol is sourced from PubChem (CID 155013546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).