(2R,3R,4S,5R)-5-methyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol

C27H30O5 — CID 140986765

IUPAC(2R,3R,4S,5R)-5-methyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol
SMILESC[C@]1(COCc2ccccc2)O[C@@H](O)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C27H30O5/c1-27(20-29-17-21-11-5-2-6-12-21)25(31-19-23-15-9-4-10-16-23)24(26(28)32-27)30-18-22-13-7-3-8-14-22/h2-16,24-26,28H,17-20H2,1H3/t24-,25+,26-,27-/m1/s1
InChIKeyIHVDXAJGJGUDFX-HVWQDESWSA-N
MW434.53 g/mol
LogP4.48
Rot. Bonds10

About (2R,3R,4S,5R)-5-methyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol

(2R,3R,4S,5R)-5-methyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol (PubChem CID 140986765) has the molecular formula C27H30O5 and a molecular weight of 434.53 g/mol. Its IUPAC name is (2R,3R,4S,5R)-5-methyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol.

Molecular Properties

Compound Name(2R,3R,4S,5R)-5-methyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol
PubChem CID140986765
Molecular FormulaC27H30O5
Molecular Weight434.53 g/mol
Exact Mass434.21
IUPAC Name(2R,3R,4S,5R)-5-methyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol
SMILESC[C@]1(COCc2ccccc2)O[C@@H](O)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C27H30O5/c1-27(20-29-17-21-11-5-2-6-12-21)25(31-19-23-15-9-4-10-16-23)24(26(28)32-27)30-18-22-13-7-3-8-14-22/h2-16,24-26,28H,17-20H2,1H3/t24-,25+,26-,27-/m1/s1
InChIKeyIHVDXAJGJGUDFX-HVWQDESWSA-N
XLogP4.48
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.53
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R,3R,4S,5R)-5-methyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol with MolForge

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Related Compounds

CID 123841413
CID 123841413
(3R,4S,5S)-6,6-bis[(4-methoxyphenyl)methoxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-ol
CID 59226849
(3R,4S,5S)-5-methyl-6,6-bis[(4-methylphenyl)methoxymethyl]-3,4-bis(phenylmethoxy)oxan-2-ol
CID 70558417
[(2S,3R)-3-methyl-3-(phenylmethoxymethyl)oxiran-2-yl]methanol
CID 121000774
(3aR,4R,5R,6S,7R,7aR)-2,2-dimethyl-4,7-bis(phenylmethoxy)-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-5,6-diol
CID 10715972
(2R,3S,4R,5S,6R)-6-methyl-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-2-ol
CID 134856100
[(2R,3R,4S,5S)-5-methoxy-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]methanol
CID 18647750
(1S,3S,7S,9R)-5,5,11,11-tetramethyl-8-phenylmethoxy-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-ol
CID 14409479
2-methyl-2-(phenylmethoxymethyl)oxirane
CID 4613554
(2R,3S,5S,6S,7R,8R,9S)-9-methyl-6,7,8-tris(phenylmethoxy)-1-oxaspiro[4.4]nonane-2,3,9-triol
CID 11060251
(1S,3R,4R)-3,4,5,6-tetrakis(phenylmethoxy)cyclohexane-1,2-diol
CID 59435860
(1S,2S,3R,4R,5R,6R)-3,4,5,6-tetrakis(phenylmethoxy)cyclohexane-1,2-diol
CID 102195211

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-5-methyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol?
The IUPAC name of (2R,3R,4S,5R)-5-methyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol (CID 140986765) is (2R,3R,4S,5R)-5-methyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol.
What is the SMILES notation for (2R,3R,4S,5R)-5-methyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol?
The canonical SMILES for (2R,3R,4S,5R)-5-methyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol is C[C@]1(COCc2ccccc2)O[C@@H](O)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1.
What is the InChIKey of (2R,3R,4S,5R)-5-methyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol?
The InChIKey is IHVDXAJGJGUDFX-HVWQDESWSA-N. The full InChI is InChI=1S/C27H30O5/c1-27(20-29-17-21-11-5-2-6-12-21)25(31-19-23-15-9-4-10-16-23)24(26(28)32-27)30-18-22-13-7-3-8-14-22/h2-16,24-26,28H,17-20H2,1H3/t24-,25+,26-,27-/m1/s1.
What are the key properties of (2R,3R,4S,5R)-5-methyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol?
(2R,3R,4S,5R)-5-methyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol has a molecular weight of 434.53 g/mol, XLogP of 4.48, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R)-5-methyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol is sourced from PubChem (CID 140986765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).