(2R,3R,4S,5R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-propylsulfonyloxane

C37H42O7S — CID 101169405

IUPAC(2R,3R,4S,5R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-propylsulfonyloxane
SMILESCCCS(=O)(=O)C1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C37H42O7S/c1-2-23-45(38,39)37-36(43-27-32-21-13-6-14-22-32)35(42-26-31-19-11-5-12-20-31)34(41-25-30-17-9-4-10-18-30)33(44-37)28-40-24-29-15-7-3-8-16-29/h3-22,33-37H,2,23-28H2,1H3/t33-,34-,35+,36-,37?/m1/s1
InChIKeyXKDMTPOSMSJDEV-YGMGGQQPSA-N
MW630.80 g/mol
LogP6.51
Rot. Bonds16

About (2R,3R,4S,5R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-propylsulfonyloxane

(2R,3R,4S,5R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-propylsulfonyloxane (PubChem CID 101169405) has the molecular formula C37H42O7S and a molecular weight of 630.80 g/mol. Its IUPAC name is (2R,3R,4S,5R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-propylsulfonyloxane.

Molecular Properties

Compound Name(2R,3R,4S,5R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-propylsulfonyloxane
PubChem CID101169405
Molecular FormulaC37H42O7S
Molecular Weight630.80 g/mol
Exact Mass630.27
IUPAC Name(2R,3R,4S,5R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-propylsulfonyloxane
SMILESCCCS(=O)(=O)C1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C37H42O7S/c1-2-23-45(38,39)37-36(43-27-32-21-13-6-14-22-32)35(42-26-31-19-11-5-12-20-31)34(41-25-30-17-9-4-10-18-30)33(44-37)28-40-24-29-15-7-3-8-16-29/h3-22,33-37H,2,23-28H2,1H3/t33-,34-,35+,36-,37?/m1/s1
InChIKeyXKDMTPOSMSJDEV-YGMGGQQPSA-N
XLogP6.51
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.80
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (2R,3R,4S,5R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-propylsulfonyloxane with MolForge

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Related Compounds

(2R,3R,4S,5R,6R)-2-ethylsulfonyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 101169404
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
(2R,3R,4S,5R,6R)-2-[(2R,3R,4S,5R,6S)-6-(2-methylprop-2-enylsulfonyl)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 162786679
(2S,3S,4S,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane-2-carbaldehyde
CID 14039722
(2S,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane-2-carbaldehyde
CID 11743535
2-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]sulfonylpyridine
CID 72749768
(2R,5S)-2-bromo-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 135036475
(2R,3R,4R,5S,6R)-3-methyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane-2-carbaldehyde
CID 11091791
(2R,3R,4S,5R,6R)-2-hexadecoxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 10259591
[(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]methanol
CID 175374479
(2R,3R,4S,5R)-2-bromo-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane
CID 102041526
(2S,3S,4S,5R,6R)-2,3,4,5-tetrakis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 66864680

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-propylsulfonyloxane?
The IUPAC name of (2R,3R,4S,5R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-propylsulfonyloxane (CID 101169405) is (2R,3R,4S,5R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-propylsulfonyloxane.
What is the SMILES notation for (2R,3R,4S,5R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-propylsulfonyloxane?
The canonical SMILES for (2R,3R,4S,5R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-propylsulfonyloxane is CCCS(=O)(=O)C1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1.
What is the InChIKey of (2R,3R,4S,5R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-propylsulfonyloxane?
The InChIKey is XKDMTPOSMSJDEV-YGMGGQQPSA-N. The full InChI is InChI=1S/C37H42O7S/c1-2-23-45(38,39)37-36(43-27-32-21-13-6-14-22-32)35(42-26-31-19-11-5-12-20-31)34(41-25-30-17-9-4-10-18-30)33(44-37)28-40-24-29-15-7-3-8-16-29/h3-22,33-37H,2,23-28H2,1H3/t33-,34-,35+,36-,37?/m1/s1.
What are the key properties of (2R,3R,4S,5R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-propylsulfonyloxane?
(2R,3R,4S,5R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-propylsulfonyloxane has a molecular weight of 630.80 g/mol, XLogP of 6.51, 16 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-propylsulfonyloxane is sourced from PubChem (CID 101169405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).