(4S,5R)-2-phenyl-4-(2-trityloxyethyl)-1,3-dioxan-5-ol

C31H30O4 — CID 16754653

IUPAC(4S,5R)-2-phenyl-4-(2-trityloxyethyl)-1,3-dioxan-5-ol
SMILESO[C@@H]1COC(c2ccccc2)O[C@H]1CCOC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H30O4/c32-28-23-33-30(24-13-5-1-6-14-24)35-29(28)21-22-34-31(25-15-7-2-8-16-25,26-17-9-3-10-18-26)27-19-11-4-12-20-27/h1-20,28-30,32H,21-23H2/t28-,29+,30?/m1/s1
InChIKeyLKLWTTOQEVWKGD-RAVAVGQKSA-N
MW466.58 g/mol
LogP5.86
Rot. Bonds8

About (4S,5R)-2-phenyl-4-(2-trityloxyethyl)-1,3-dioxan-5-ol

(4S,5R)-2-phenyl-4-(2-trityloxyethyl)-1,3-dioxan-5-ol (PubChem CID 16754653) has the molecular formula C31H30O4 and a molecular weight of 466.58 g/mol. Its IUPAC name is (4S,5R)-2-phenyl-4-(2-trityloxyethyl)-1,3-dioxan-5-ol.

Molecular Properties

Compound Name(4S,5R)-2-phenyl-4-(2-trityloxyethyl)-1,3-dioxan-5-ol
PubChem CID16754653
Molecular FormulaC31H30O4
Molecular Weight466.58 g/mol
Exact Mass466.21
IUPAC Name(4S,5R)-2-phenyl-4-(2-trityloxyethyl)-1,3-dioxan-5-ol
SMILESO[C@@H]1COC(c2ccccc2)O[C@H]1CCOC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H30O4/c32-28-23-33-30(24-13-5-1-6-14-24)35-29(28)21-22-34-31(25-15-7-2-8-16-25,26-17-9-3-10-18-26)27-19-11-4-12-20-27/h1-20,28-30,32H,21-23H2/t28-,29+,30?/m1/s1
InChIKeyLKLWTTOQEVWKGD-RAVAVGQKSA-N
XLogP5.86
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.58
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

(4S,5R)-4-[2-[(4-methoxyphenyl)methoxy]ethyl]-2-phenyl-1,3-dioxan-5-ol
CID 11313942
(4S,5S)-4-[3-[(4-methoxyphenyl)methoxy]propyl]-2-phenyl-1,3-dioxan-5-ol
CID 11268344
2-(trityloxymethyl)oxane-3,4,5-triol
CID 73104798
(2S,3R,4R)-2-(trityloxymethyl)oxolane-3,4-diol
CID 101240446
(4R)-4-[[(4R,5S)-2-phenyl-4-(trityloxymethyl)-1,3-dioxan-5-yl]oxy]-3-propan-2-ylideneazetidin-2-one
CID 102214997
(4S)-4-[[(4R,5S)-2-phenyl-4-(trityloxymethyl)-1,3-dioxan-5-yl]oxy]-3-propan-2-ylideneazetidin-2-one
CID 102214995
(4S,5S)-4-[(4S,5S)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]-2-phenyl-1,3-dioxan-5-ol
CID 176837277
(4S,5R)-4-[(4S,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]-2-phenyl-1,3-dioxan-5-ol
CID 90322628
(4S,5R)-4-[(4R,5S)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]-2-phenyl-1,3-dioxan-5-ol
CID 102461331
(5R)-4-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]-2-phenyl-1,3-dioxan-5-ol
CID 22309099
(4S,5R)-4-(1,3-dithian-2-ylmethyl)-2-phenyl-1,3-dioxan-5-ol
CID 42599169
2-phenyl-1,3-dioxolan-4-ol
CID 23288237

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-2-phenyl-4-(2-trityloxyethyl)-1,3-dioxan-5-ol?
The IUPAC name of (4S,5R)-2-phenyl-4-(2-trityloxyethyl)-1,3-dioxan-5-ol (CID 16754653) is (4S,5R)-2-phenyl-4-(2-trityloxyethyl)-1,3-dioxan-5-ol.
What is the SMILES notation for (4S,5R)-2-phenyl-4-(2-trityloxyethyl)-1,3-dioxan-5-ol?
The canonical SMILES for (4S,5R)-2-phenyl-4-(2-trityloxyethyl)-1,3-dioxan-5-ol is O[C@@H]1COC(c2ccccc2)O[C@H]1CCOC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (4S,5R)-2-phenyl-4-(2-trityloxyethyl)-1,3-dioxan-5-ol?
The InChIKey is LKLWTTOQEVWKGD-RAVAVGQKSA-N. The full InChI is InChI=1S/C31H30O4/c32-28-23-33-30(24-13-5-1-6-14-24)35-29(28)21-22-34-31(25-15-7-2-8-16-25,26-17-9-3-10-18-26)27-19-11-4-12-20-27/h1-20,28-30,32H,21-23H2/t28-,29+,30?/m1/s1.
What are the key properties of (4S,5R)-2-phenyl-4-(2-trityloxyethyl)-1,3-dioxan-5-ol?
(4S,5R)-2-phenyl-4-(2-trityloxyethyl)-1,3-dioxan-5-ol has a molecular weight of 466.58 g/mol, XLogP of 5.86, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-2-phenyl-4-(2-trityloxyethyl)-1,3-dioxan-5-ol is sourced from PubChem (CID 16754653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).