[(2S,3R,4R,5R)-2-methoxy-3-(methoxymethyl)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-yl] benzoate

C29H32O7 — CID 102327408

IUPAC[(2S,3R,4R,5R)-2-methoxy-3-(methoxymethyl)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-yl] benzoate
SMILESCOC[C@]1(OC(=O)c2ccccc2)[C@@H](OC)O[C@H](COCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C29H32O7/c1-31-21-29(36-27(30)24-16-10-5-11-17-24)26(34-19-23-14-8-4-9-15-23)25(35-28(29)32-2)20-33-18-22-12-6-3-7-13-22/h3-17,25-26,28H,18-21H2,1-2H3/t25-,26-,28+,29-/m1/s1
InChIKeyKKSHWQRTYSQWEZ-PPTZAKONSA-N
MW492.57 g/mol
LogP4.40
Rot. Bonds12

About [(2S,3R,4R,5R)-2-methoxy-3-(methoxymethyl)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-yl] benzoate

[(2S,3R,4R,5R)-2-methoxy-3-(methoxymethyl)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-yl] benzoate (PubChem CID 102327408) has the molecular formula C29H32O7 and a molecular weight of 492.57 g/mol. Its IUPAC name is [(2S,3R,4R,5R)-2-methoxy-3-(methoxymethyl)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-yl] benzoate.

Molecular Properties

Compound Name[(2S,3R,4R,5R)-2-methoxy-3-(methoxymethyl)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-yl] benzoate
PubChem CID102327408
Molecular FormulaC29H32O7
Molecular Weight492.57 g/mol
Exact Mass492.21
IUPAC Name[(2S,3R,4R,5R)-2-methoxy-3-(methoxymethyl)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-yl] benzoate
SMILESCOC[C@]1(OC(=O)c2ccccc2)[C@@H](OC)O[C@H](COCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C29H32O7/c1-31-21-29(36-27(30)24-16-10-5-11-17-24)26(34-19-23-14-8-4-9-15-23)25(35-28(29)32-2)20-33-18-22-12-6-3-7-13-22/h3-17,25-26,28H,18-21H2,1-2H3/t25-,26-,28+,29-/m1/s1
InChIKeyKKSHWQRTYSQWEZ-PPTZAKONSA-N
XLogP4.40
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.57
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [(2S,3R,4R,5R)-2-methoxy-3-(methoxymethyl)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-yl] benzoate with MolForge

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Related Compounds

[(2R,3S,4R)-3,5-dibenzoyloxy-4-methyl-4-(phenylmethoxymethyl)oxolan-2-yl]methyl benzoate
CID 134348979
1-(3-chloroindol-1-yl)-2-[(2S,3R,4R,5R)-3-hydroxy-2-methoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-yl]ethanone
CID 53493807
[4-phenylmethoxy-5-(phenylmethoxymethyl)-3-propyloxolan-3-yl] benzoate
CID 123834968
N-[(2S,3R,4S,5R)-2-methoxy-3-methyl-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-yl]-2-methylpropane-2-sulfinamide
CID 86711793
[(2S,3R)-5-methoxy-2-(phenylmethoxymethyl)oxolan-3-yl]methyl benzoate
CID 68926499
[(2R,3R,4R,5R)-5-(benzoyloxymethyl)-3,4-bis(phenylmethoxy)oxolan-2-yl]methyl benzoate
CID 101201663
[(2R,3R,4S,5S,6R)-2-methoxy-3-phenylmethoxy-6-(phenylmethoxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-4-yl] benzoate
CID 11804088
1-[(2R,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]propan-2-one
CID 177494460
[(3R,5S)-3,4,5-tribenzoyloxy-4-methyloxolan-2-yl]methyl benzoate
CID 91324397
[(3R,6S)-4,5-dibenzoyloxy-6-methoxy-2-[[(2S,5R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl] benzoate
CID 135033257
[(2R,3R,4S,5R,6S)-4-formyloxy-6-methoxy-5-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl] benzoate
CID 10874837
1-phenyl-2-[(2S,4R,5R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]ethanone
CID 164669346

Frequently Asked Questions

What is the IUPAC name of [(2S,3R,4R,5R)-2-methoxy-3-(methoxymethyl)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-yl] benzoate?
The IUPAC name of [(2S,3R,4R,5R)-2-methoxy-3-(methoxymethyl)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-yl] benzoate (CID 102327408) is [(2S,3R,4R,5R)-2-methoxy-3-(methoxymethyl)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-yl] benzoate.
What is the SMILES notation for [(2S,3R,4R,5R)-2-methoxy-3-(methoxymethyl)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-yl] benzoate?
The canonical SMILES for [(2S,3R,4R,5R)-2-methoxy-3-(methoxymethyl)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-yl] benzoate is COC[C@]1(OC(=O)c2ccccc2)[C@@H](OC)O[C@H](COCc2ccccc2)[C@H]1OCc1ccccc1.
What is the InChIKey of [(2S,3R,4R,5R)-2-methoxy-3-(methoxymethyl)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-yl] benzoate?
The InChIKey is KKSHWQRTYSQWEZ-PPTZAKONSA-N. The full InChI is InChI=1S/C29H32O7/c1-31-21-29(36-27(30)24-16-10-5-11-17-24)26(34-19-23-14-8-4-9-15-23)25(35-28(29)32-2)20-33-18-22-12-6-3-7-13-22/h3-17,25-26,28H,18-21H2,1-2H3/t25-,26-,28+,29-/m1/s1.
What are the key properties of [(2S,3R,4R,5R)-2-methoxy-3-(methoxymethyl)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-yl] benzoate?
[(2S,3R,4R,5R)-2-methoxy-3-(methoxymethyl)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-yl] benzoate has a molecular weight of 492.57 g/mol, XLogP of 4.40, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R,4R,5R)-2-methoxy-3-(methoxymethyl)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-yl] benzoate is sourced from PubChem (CID 102327408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).