(2S,3R,4S,5R,6S)-2-methoxy-3,4,5-tris(phenylmethoxy)-6-(phenylselanylmethyl)oxane

C34H36O5Se — CID 132597287

IUPAC(2S,3R,4S,5R,6S)-2-methoxy-3,4,5-tris(phenylmethoxy)-6-(phenylselanylmethyl)oxane
SMILESCO[C@H]1O[C@H](C[Se]c2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C34H36O5Se/c1-35-34-33(38-24-28-18-10-4-11-19-28)32(37-23-27-16-8-3-9-17-27)31(36-22-26-14-6-2-7-15-26)30(39-34)25-40-29-20-12-5-13-21-29/h2-21,30-34H,22-25H2,1H3/t30-,31+,32+,33-,34+/m1/s1
InChIKeyXCBJJDRYUWOGOS-YODGASFJSA-N
MW603.62 g/mol
LogP5.56
Rot. Bonds13

About (2S,3R,4S,5R,6S)-2-methoxy-3,4,5-tris(phenylmethoxy)-6-(phenylselanylmethyl)oxane

(2S,3R,4S,5R,6S)-2-methoxy-3,4,5-tris(phenylmethoxy)-6-(phenylselanylmethyl)oxane (PubChem CID 132597287) has the molecular formula C34H36O5Se and a molecular weight of 603.62 g/mol. Its IUPAC name is (2S,3R,4S,5R,6S)-2-methoxy-3,4,5-tris(phenylmethoxy)-6-(phenylselanylmethyl)oxane.

Molecular Properties

Compound Name(2S,3R,4S,5R,6S)-2-methoxy-3,4,5-tris(phenylmethoxy)-6-(phenylselanylmethyl)oxane
PubChem CID132597287
Molecular FormulaC34H36O5Se
Molecular Weight603.62 g/mol
Exact Mass604.17
IUPAC Name(2S,3R,4S,5R,6S)-2-methoxy-3,4,5-tris(phenylmethoxy)-6-(phenylselanylmethyl)oxane
SMILESCO[C@H]1O[C@H](C[Se]c2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C34H36O5Se/c1-35-34-33(38-24-28-18-10-4-11-19-28)32(37-23-27-16-8-3-9-17-27)31(36-22-26-14-6-2-7-15-26)30(39-34)25-40-29-20-12-5-13-21-29/h2-21,30-34H,22-25H2,1H3/t30-,31+,32+,33-,34+/m1/s1
InChIKeyXCBJJDRYUWOGOS-YODGASFJSA-N
XLogP5.56
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.62
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (2S,3R,4S,5R,6S)-2-methoxy-3,4,5-tris(phenylmethoxy)-6-(phenylselanylmethyl)oxane with MolForge

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Related Compounds

(2S,3R,4S,5R,6S)-2-(iodomethyl)-6-methoxy-3,4,5-tris(phenylmethoxy)oxane
CID 11330611
(2R,3S,4S,5R,6S)-2-ethyl-6-methoxy-3,4,5-tris(phenylmethoxy)oxane
CID 102391808
(2S,3S,4S,5R,6R)-2-methoxy-6-(methoxymethyl)-3,4,5-tris(phenylmethoxy)oxane
CID 67155731
(2S,3S,4S,5S,6S)-2-methoxy-6-[[(2S,3S,4R,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methylsulfanylmethyl]-3,4,5-tris(phenylmethoxy)oxane
CID 50906249
[(2R,3R,4R,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol
CID 23245862
(2S,3S,4S,5S)-2-methoxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 66509215
[(2R,3R,4R)-5-methoxy-3,4-bis(phenylmethoxy)oxolan-2-yl]methanol
CID 101100529
2-[(2R,3R,4S,5S,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]acetonitrile
CID 135027342
2-[(2R,3R,4S,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]ethanol
CID 67629587
2-methoxy-6-(methylsulfanylmethyl)-3,4,5-tris(phenylmethoxy)oxane
CID 134832275
(2S,3R,4S,5R,6R)-2-[[(2R,3R,4R,5R)-5-methoxy-3,4-bis(phenylmethoxy)oxolan-2-yl]methoxy]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 100914116
(2S,3S,4S,5R,6R)-2-methoxy-3,4,5-tris(phenylmethoxy)-6-[[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]oxane
CID 101466652

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5R,6S)-2-methoxy-3,4,5-tris(phenylmethoxy)-6-(phenylselanylmethyl)oxane?
The IUPAC name of (2S,3R,4S,5R,6S)-2-methoxy-3,4,5-tris(phenylmethoxy)-6-(phenylselanylmethyl)oxane (CID 132597287) is (2S,3R,4S,5R,6S)-2-methoxy-3,4,5-tris(phenylmethoxy)-6-(phenylselanylmethyl)oxane.
What is the SMILES notation for (2S,3R,4S,5R,6S)-2-methoxy-3,4,5-tris(phenylmethoxy)-6-(phenylselanylmethyl)oxane?
The canonical SMILES for (2S,3R,4S,5R,6S)-2-methoxy-3,4,5-tris(phenylmethoxy)-6-(phenylselanylmethyl)oxane is CO[C@H]1O[C@H](C[Se]c2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1.
What is the InChIKey of (2S,3R,4S,5R,6S)-2-methoxy-3,4,5-tris(phenylmethoxy)-6-(phenylselanylmethyl)oxane?
The InChIKey is XCBJJDRYUWOGOS-YODGASFJSA-N. The full InChI is InChI=1S/C34H36O5Se/c1-35-34-33(38-24-28-18-10-4-11-19-28)32(37-23-27-16-8-3-9-17-27)31(36-22-26-14-6-2-7-15-26)30(39-34)25-40-29-20-12-5-13-21-29/h2-21,30-34H,22-25H2,1H3/t30-,31+,32+,33-,34+/m1/s1.
What are the key properties of (2S,3R,4S,5R,6S)-2-methoxy-3,4,5-tris(phenylmethoxy)-6-(phenylselanylmethyl)oxane?
(2S,3R,4S,5R,6S)-2-methoxy-3,4,5-tris(phenylmethoxy)-6-(phenylselanylmethyl)oxane has a molecular weight of 603.62 g/mol, XLogP of 5.56, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5R,6S)-2-methoxy-3,4,5-tris(phenylmethoxy)-6-(phenylselanylmethyl)oxane is sourced from PubChem (CID 132597287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).