(2S,3S,4R,5S)-3,4,5-tris(phenylmethoxy)oxolan-2-ol

C25H26O5 — CID 97267896

IUPAC(2S,3S,4R,5S)-3,4,5-tris(phenylmethoxy)oxolan-2-ol
SMILESO[C@H]1O[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C25H26O5/c26-24-22(27-16-19-10-4-1-5-11-19)23(28-17-20-12-6-2-7-13-20)25(30-24)29-18-21-14-8-3-9-15-21/h1-15,22-26H,16-18H2/t22-,23+,24-,25-/m0/s1
InChIKeyHHJKMDPQFZBQOK-NDBXHCKUSA-N
MW406.48 g/mol
LogP4.05
Rot. Bonds9

About (2S,3S,4R,5S)-3,4,5-tris(phenylmethoxy)oxolan-2-ol

(2S,3S,4R,5S)-3,4,5-tris(phenylmethoxy)oxolan-2-ol (PubChem CID 97267896) has the molecular formula C25H26O5 and a molecular weight of 406.48 g/mol. Its IUPAC name is (2S,3S,4R,5S)-3,4,5-tris(phenylmethoxy)oxolan-2-ol.

Molecular Properties

Compound Name(2S,3S,4R,5S)-3,4,5-tris(phenylmethoxy)oxolan-2-ol
PubChem CID97267896
Molecular FormulaC25H26O5
Molecular Weight406.48 g/mol
Exact Mass406.18
IUPAC Name(2S,3S,4R,5S)-3,4,5-tris(phenylmethoxy)oxolan-2-ol
SMILESO[C@H]1O[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C25H26O5/c26-24-22(27-16-19-10-4-1-5-11-19)23(28-17-20-12-6-2-7-13-20)25(30-24)29-18-21-14-8-3-9-15-21/h1-15,22-26H,16-18H2/t22-,23+,24-,25-/m0/s1
InChIKeyHHJKMDPQFZBQOK-NDBXHCKUSA-N
XLogP4.05
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-[[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]oxan-2-ol
CID 54589858
5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-ol
CID 20743032
(2S,3S,5R,6R)-4-phenylmethoxyoxane-2,3,5,6-tetrol
CID 131023997
(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
(2S,3S,4S,5R)-3,4,5,6-tetrakis(phenylmethoxy)oxane-2-carboxylic acid
CID 56606677
(2S,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol
CID 67076623
(2R,3R,4S,5S,6S)-6-(fluoromethyl)-3,4,5-tris(phenylmethoxy)oxan-2-ol
CID 141137019
(2R,3R,4R,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol
CID 12933787
(2S,3R,4S,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol
CID 67076892
(2R,3S,4S,5R,6R)-2-methyl-3,5,6-tris(phenylmethoxy)oxan-4-ol
CID 11080578
(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 (2S,3S,4R,5S)-3,4,5-tris(phenylmethoxy)oxolan-2-ol?
The IUPAC name of (2S,3S,4R,5S)-3,4,5-tris(phenylmethoxy)oxolan-2-ol (CID 97267896) is (2S,3S,4R,5S)-3,4,5-tris(phenylmethoxy)oxolan-2-ol.
What is the SMILES notation for (2S,3S,4R,5S)-3,4,5-tris(phenylmethoxy)oxolan-2-ol?
The canonical SMILES for (2S,3S,4R,5S)-3,4,5-tris(phenylmethoxy)oxolan-2-ol is O[C@H]1O[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1.
What is the InChIKey of (2S,3S,4R,5S)-3,4,5-tris(phenylmethoxy)oxolan-2-ol?
The InChIKey is HHJKMDPQFZBQOK-NDBXHCKUSA-N. The full InChI is InChI=1S/C25H26O5/c26-24-22(27-16-19-10-4-1-5-11-19)23(28-17-20-12-6-2-7-13-20)25(30-24)29-18-21-14-8-3-9-15-21/h1-15,22-26H,16-18H2/t22-,23+,24-,25-/m0/s1.
What are the key properties of (2S,3S,4R,5S)-3,4,5-tris(phenylmethoxy)oxolan-2-ol?
(2S,3S,4R,5S)-3,4,5-tris(phenylmethoxy)oxolan-2-ol has a molecular weight of 406.48 g/mol, XLogP of 4.05, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5S)-3,4,5-tris(phenylmethoxy)oxolan-2-ol is sourced from PubChem (CID 97267896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).