(3R,6R)-3,5-bis[[tert-butyl(diphenyl)silyl]oxy]-2-(hydroxymethyl)-6-phenylmethoxyoxan-4-ol

C45H54O6Si2 — CID 164669991

IUPAC(3R,6R)-3,5-bis[[tert-butyl(diphenyl)silyl]oxy]-2-(hydroxymethyl)-6-phenylmethoxyoxan-4-ol
SMILESCC(C)(C)[Si](OC1C(O)[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C(CO)O[C@H]1OCc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C45H54O6Si2/c1-44(2,3)52(35-24-14-8-15-25-35,36-26-16-9-17-27-36)50-41-39(32-46)49-43(48-33-34-22-12-7-13-23-34)42(40(41)47)51-53(45(4,5)6,37-28-18-10-19-29-37)38-30-20-11-21-31-38/h7-31,39-43,46-47H,32-33H2,1-6H3/t39?,40?,41-,42?,43+/m0/s1
InChIKeyPROKHAOOKLXKLM-CGIBAWEYSA-N
MW747.09 g/mol
LogP6.17
Rot. Bonds12

About (3R,6R)-3,5-bis[[tert-butyl(diphenyl)silyl]oxy]-2-(hydroxymethyl)-6-phenylmethoxyoxan-4-ol

(3R,6R)-3,5-bis[[tert-butyl(diphenyl)silyl]oxy]-2-(hydroxymethyl)-6-phenylmethoxyoxan-4-ol (PubChem CID 164669991) has the molecular formula C45H54O6Si2 and a molecular weight of 747.09 g/mol. Its IUPAC name is (3R,6R)-3,5-bis[[tert-butyl(diphenyl)silyl]oxy]-2-(hydroxymethyl)-6-phenylmethoxyoxan-4-ol.

Molecular Properties

Compound Name(3R,6R)-3,5-bis[[tert-butyl(diphenyl)silyl]oxy]-2-(hydroxymethyl)-6-phenylmethoxyoxan-4-ol
PubChem CID164669991
Molecular FormulaC45H54O6Si2
Molecular Weight747.09 g/mol
Exact Mass746.35
IUPAC Name(3R,6R)-3,5-bis[[tert-butyl(diphenyl)silyl]oxy]-2-(hydroxymethyl)-6-phenylmethoxyoxan-4-ol
SMILESCC(C)(C)[Si](OC1C(O)[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C(CO)O[C@H]1OCc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C45H54O6Si2/c1-44(2,3)52(35-24-14-8-15-25-35,36-26-16-9-17-27-36)50-41-39(32-46)49-43(48-33-34-22-12-7-13-23-34)42(40(41)47)51-53(45(4,5)6,37-28-18-10-19-29-37)38-30-20-11-21-31-38/h7-31,39-43,46-47H,32-33H2,1-6H3/t39?,40?,41-,42?,43+/m0/s1
InChIKeyPROKHAOOKLXKLM-CGIBAWEYSA-N
XLogP6.17
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500747.09
LogP ≤ 56.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (3R,6R)-3,5-bis[[tert-butyl(diphenyl)silyl]oxy]-2-(hydroxymethyl)-6-phenylmethoxyoxan-4-ol 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

(2S,3S,4R,5S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-phenylmethoxyoxane-2,3,4-triol
CID 171125092
(3S,4S,5S,6S)-3-[tert-butyl(diphenyl)silyl]oxy-6-(hydroxymethyl)oxane-2,4,5-triol
CID 10811969
(3R,4S,5R)-3-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-ol
CID 171122175
(3S,4R,5R)-3-[tert-butyl(diphenyl)silyl]oxy-5-(phenylmethoxymethyl)oxolane-2,4-diol
CID 101473888
(2S,3R,4S,5R,6R)-6-[[(2S,3R,4S,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-ol
CID 171124593
(2R,3R,4R,5R,6S)-5-azido-6-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-ol
CID 102322669
(2R,3S,4R,5R,6S)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-phenylmethoxyoxan-3-ol
CID 52918394
(2S,3S,4S)-2-(hydroxymethyl)-5-phenylmethoxyoxolane-3,4-diol
CID 54063014
(2S,3R,4R,5R)-5-(hydroxymethyl)-2-methoxy-4-phenylmethoxyoxolan-3-ol
CID 10800923
(3R,4S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,6-dimethoxy-5-phenylmethoxyoxan-3-ol;(3R,4S,6S)-2-ethyl-4,6-dimethoxy-5-phenylmethoxyoxan-3-ol
CID 91336528
(2S,3R,4R,5R,6R)-2-(hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol
CID 102431247
(3S,5S,6R)-2-(hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol
CID 45038278

Frequently Asked Questions

What is the IUPAC name of (3R,6R)-3,5-bis[[tert-butyl(diphenyl)silyl]oxy]-2-(hydroxymethyl)-6-phenylmethoxyoxan-4-ol?
The IUPAC name of (3R,6R)-3,5-bis[[tert-butyl(diphenyl)silyl]oxy]-2-(hydroxymethyl)-6-phenylmethoxyoxan-4-ol (CID 164669991) is (3R,6R)-3,5-bis[[tert-butyl(diphenyl)silyl]oxy]-2-(hydroxymethyl)-6-phenylmethoxyoxan-4-ol.
What is the SMILES notation for (3R,6R)-3,5-bis[[tert-butyl(diphenyl)silyl]oxy]-2-(hydroxymethyl)-6-phenylmethoxyoxan-4-ol?
The canonical SMILES for (3R,6R)-3,5-bis[[tert-butyl(diphenyl)silyl]oxy]-2-(hydroxymethyl)-6-phenylmethoxyoxan-4-ol is CC(C)(C)[Si](OC1C(O)[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C(CO)O[C@H]1OCc1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (3R,6R)-3,5-bis[[tert-butyl(diphenyl)silyl]oxy]-2-(hydroxymethyl)-6-phenylmethoxyoxan-4-ol?
The InChIKey is PROKHAOOKLXKLM-CGIBAWEYSA-N. The full InChI is InChI=1S/C45H54O6Si2/c1-44(2,3)52(35-24-14-8-15-25-35,36-26-16-9-17-27-36)50-41-39(32-46)49-43(48-33-34-22-12-7-13-23-34)42(40(41)47)51-53(45(4,5)6,37-28-18-10-19-29-37)38-30-20-11-21-31-38/h7-31,39-43,46-47H,32-33H2,1-6H3/t39?,40?,41-,42?,43+/m0/s1.
What are the key properties of (3R,6R)-3,5-bis[[tert-butyl(diphenyl)silyl]oxy]-2-(hydroxymethyl)-6-phenylmethoxyoxan-4-ol?
(3R,6R)-3,5-bis[[tert-butyl(diphenyl)silyl]oxy]-2-(hydroxymethyl)-6-phenylmethoxyoxan-4-ol has a molecular weight of 747.09 g/mol, XLogP of 6.17, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6R)-3,5-bis[[tert-butyl(diphenyl)silyl]oxy]-2-(hydroxymethyl)-6-phenylmethoxyoxan-4-ol is sourced from PubChem (CID 164669991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).