[(2R,3R,4S,5R,6R)-6-[(2S)-oxolan-2-yl]oxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol

C31H36O7 — CID 102364580

IUPAC[(2R,3R,4S,5R,6R)-6-[(2S)-oxolan-2-yl]oxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol
SMILESOC[C@H]1O[C@H](O[C@H]2CCCO2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C31H36O7/c32-19-26-28(34-20-23-11-4-1-5-12-23)29(35-21-24-13-6-2-7-14-24)30(36-22-25-15-8-3-9-16-25)31(37-26)38-27-17-10-18-33-27/h1-9,11-16,26-32H,10,17-22H2/t26-,27+,28-,29+,30-,31-/m1/s1
InChIKeyWHMIJJQMENUJPN-ZAKLOLAYSA-N
MW520.62 g/mol
LogP4.61
Rot. Bonds12

About [(2R,3R,4S,5R,6R)-6-[(2S)-oxolan-2-yl]oxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol

[(2R,3R,4S,5R,6R)-6-[(2S)-oxolan-2-yl]oxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol (PubChem CID 102364580) has the molecular formula C31H36O7 and a molecular weight of 520.62 g/mol. Its IUPAC name is [(2R,3R,4S,5R,6R)-6-[(2S)-oxolan-2-yl]oxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol.

Molecular Properties

Compound Name[(2R,3R,4S,5R,6R)-6-[(2S)-oxolan-2-yl]oxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol
PubChem CID102364580
Molecular FormulaC31H36O7
Molecular Weight520.62 g/mol
Exact Mass520.25
IUPAC Name[(2R,3R,4S,5R,6R)-6-[(2S)-oxolan-2-yl]oxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol
SMILESOC[C@H]1O[C@H](O[C@H]2CCCO2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C31H36O7/c32-19-26-28(34-20-23-11-4-1-5-12-23)29(35-21-24-13-6-2-7-14-24)30(36-22-25-15-8-3-9-16-25)31(37-26)38-27-17-10-18-33-27/h1-9,11-16,26-32H,10,17-22H2/t26-,27+,28-,29+,30-,31-/m1/s1
InChIKeyWHMIJJQMENUJPN-ZAKLOLAYSA-N
XLogP4.61
TPSA75.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.62
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [(2R,3R,4S,5R,6R)-6-[(2S)-oxolan-2-yl]oxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol 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

(3R,4S,5R,6R)-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-3,4-bis(phenylmethoxy)oxan-2-ol
CID 91602456
[(2R,3R,4R,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol
CID 23245862
[(2R,3R,4S,5R,6S)-6-phenoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol
CID 101199897
[(2R,3R,4R)-5-methoxy-3,4-bis(phenylmethoxy)oxolan-2-yl]methanol
CID 101100529
(2S,3S,4S,5S,6R)-6-[(2R,3R,4R,5R,6S)-5-hydroxy-6-(hydroxymethyl)-3,4-bis(phenylmethoxy)oxan-2-yl]oxy-2-(hydroxymethyl)-4,5-bis(phenylmethoxy)oxan-3-ol
CID 99694818
[(3R,4S,6R)-6-[(2R,5S)-6-(hydroxymethyl)-3-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-3-methyl-4,5-bis(phenylmethoxy)oxan-2-yl]methanol
CID 70905902
[(2R,3R,4S,5R,6R)-6-[(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxan-3-yl]oxy-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol
CID 10725041
[(2S,3S,4R,5S,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol
CID 170405483
[(3R,6S)-6-[[(3R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol
CID 163470543
[(2R,3R,4S,5R,6S)-3,4,5-tris(phenylmethoxy)-6-prop-2-ynoxyoxan-2-yl]methanol
CID 102412962
(2S,3S,4R,5R,6R)-2-(hydroxymethyl)-6-[(2R,3R,4S,5S,6R)-2-(hydroxymethyl)-6-methoxy-3,5-bis(phenylmethoxy)oxan-4-yl]oxy-3,5-bis(phenylmethoxy)oxan-4-ol
CID 163077178
2-(hydroxymethyl)-6-[2-(hydroxymethyl)-6-methoxy-3,5-bis(phenylmethoxy)oxan-4-yl]oxy-3,5-bis(phenylmethoxy)oxan-4-ol
CID 13093593

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S,5R,6R)-6-[(2S)-oxolan-2-yl]oxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol?
The IUPAC name of [(2R,3R,4S,5R,6R)-6-[(2S)-oxolan-2-yl]oxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol (CID 102364580) is [(2R,3R,4S,5R,6R)-6-[(2S)-oxolan-2-yl]oxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol.
What is the SMILES notation for [(2R,3R,4S,5R,6R)-6-[(2S)-oxolan-2-yl]oxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol?
The canonical SMILES for [(2R,3R,4S,5R,6R)-6-[(2S)-oxolan-2-yl]oxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol is OC[C@H]1O[C@H](O[C@H]2CCCO2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1.
What is the InChIKey of [(2R,3R,4S,5R,6R)-6-[(2S)-oxolan-2-yl]oxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol?
The InChIKey is WHMIJJQMENUJPN-ZAKLOLAYSA-N. The full InChI is InChI=1S/C31H36O7/c32-19-26-28(34-20-23-11-4-1-5-12-23)29(35-21-24-13-6-2-7-14-24)30(36-22-25-15-8-3-9-16-25)31(37-26)38-27-17-10-18-33-27/h1-9,11-16,26-32H,10,17-22H2/t26-,27+,28-,29+,30-,31-/m1/s1.
What are the key properties of [(2R,3R,4S,5R,6R)-6-[(2S)-oxolan-2-yl]oxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol?
[(2R,3R,4S,5R,6R)-6-[(2S)-oxolan-2-yl]oxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol has a molecular weight of 520.62 g/mol, XLogP of 4.61, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4S,5R,6R)-6-[(2S)-oxolan-2-yl]oxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol is sourced from PubChem (CID 102364580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).