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

C34H36O6 — CID 14427833

IUPAC(3S,4R,5R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-2-ol
SMILESOC1(COCc2ccccc2)OC[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C34H36O6/c35-34(26-36-21-27-13-5-1-6-14-27)33(39-24-30-19-11-4-12-20-30)32(38-23-29-17-9-3-10-18-29)31(25-40-34)37-22-28-15-7-2-8-16-28/h1-20,31-33,35H,21-26H2/t31-,32-,33+,34?/m1/s1
InChIKeyWYJSUOPAJIPMJR-HBQPKYPGSA-N
MW540.66 g/mol
LogP5.68
Rot. Bonds13

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

(3S,4R,5R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-2-ol (PubChem CID 14427833) has the molecular formula C34H36O6 and a molecular weight of 540.66 g/mol. Its IUPAC name is (3S,4R,5R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-2-ol.

Molecular Properties

Compound Name(3S,4R,5R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-2-ol
PubChem CID14427833
Molecular FormulaC34H36O6
Molecular Weight540.66 g/mol
Exact Mass540.25
IUPAC Name(3S,4R,5R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-2-ol
SMILESOC1(COCc2ccccc2)OC[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C34H36O6/c35-34(26-36-21-27-13-5-1-6-14-27)33(39-24-30-19-11-4-12-20-30)32(38-23-29-17-9-3-10-18-29)31(25-40-34)37-22-28-15-7-2-8-16-28/h1-20,31-33,35H,21-26H2/t31-,32-,33+,34?/m1/s1
InChIKeyWYJSUOPAJIPMJR-HBQPKYPGSA-N
XLogP5.68
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.66
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R,4S,5S)-2-methyl-3,4,5-tris(phenylmethoxy)oxan-2-ol
CID 122386595
(3R,4S,5R)-2-bromo-3,4,5-tris(phenylmethoxy)oxan-2-ol
CID 54179875
(2R,3S,4R,5S,6R)-6-methyl-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-2-ol
CID 134856100
(3R,4S,5R,6R)-2-ethyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol
CID 14445991
(2R,3R,4S)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxolane
CID 122363520
(1R,2R,4S,5S,6R)-5,6-bis(phenylmethoxy)-4-(phenylmethoxymethyl)cyclohexane-1,2,4-triol
CID 11048887
(2R,3R,4S,5R)-5-methyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol
CID 140986765
2-[(3R,4S,5S,6R)-2-hydroxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]acetic acid
CID 54345731
(2S,3R,4S,5R)-2-chloro-3,4,5-tris(phenylmethoxy)oxane
CID 129175845
(3S,4R,5R)-4-phenylmethoxy-2,5-bis(phenylmethoxymethyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxolan-2-ol
CID 102322596
(3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-2-prop-2-enyloxan-2-ol
CID 11273229
[3,4,5-tris(phenylmethoxy)oxan-2-yl] acetate
CID 73019389

Frequently Asked Questions

What is the IUPAC name of (3S,4R,5R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-2-ol?
The IUPAC name of (3S,4R,5R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-2-ol (CID 14427833) is (3S,4R,5R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-2-ol.
What is the SMILES notation for (3S,4R,5R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-2-ol?
The canonical SMILES for (3S,4R,5R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-2-ol is OC1(COCc2ccccc2)OC[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1.
What is the InChIKey of (3S,4R,5R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-2-ol?
The InChIKey is WYJSUOPAJIPMJR-HBQPKYPGSA-N. The full InChI is InChI=1S/C34H36O6/c35-34(26-36-21-27-13-5-1-6-14-27)33(39-24-30-19-11-4-12-20-30)32(38-23-29-17-9-3-10-18-29)31(25-40-34)37-22-28-15-7-2-8-16-28/h1-20,31-33,35H,21-26H2/t31-,32-,33+,34?/m1/s1.
What are the key properties of (3S,4R,5R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-2-ol?
(3S,4R,5R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-2-ol has a molecular weight of 540.66 g/mol, XLogP of 5.68, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-2-ol is sourced from PubChem (CID 14427833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).