(1R,2S,3S,4R,6R)-4-[(2R,3R,4S,5R,6R)-6-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-2,3-bis(phenylmethoxy)-6-(phenylmethoxymethyl)cyclohexan-1-ol

C56H62O10 — CID 10605734

IUPAC(1R,2S,3S,4R,6R)-4-[(2R,3R,4S,5R,6R)-6-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-2,3-bis(phenylmethoxy)-6-(phenylmethoxymethyl)cyclohexan-1-ol
SMILESCO[C@@H]1O[C@H](COCc2ccccc2)[C@@H](O[C@@H]2C[C@H](COCc3ccccc3)[C@@H](O)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C56H62O10/c1-58-56-55(64-38-46-30-18-7-19-31-46)54(63-37-45-28-16-6-17-29-45)52(49(66-56)40-60-34-42-22-10-3-11-23-42)65-48-32-47(39-59-33-41-20-8-2-9-21-41)50(57)53(62-36-44-26-14-5-15-27-44)51(48)61-35-43-24-12-4-13-25-43/h2-31,47-57H,32-40H2,1H3/t47-,48-,49-,50-,51+,52-,53+,54+,55-,56-/m1/s1
InChIKeyTYGFBGDHVGTTDC-CWOHQLLYSA-N
MW895.10 g/mol
LogP9.27
Rot. Bonds23

About (1R,2S,3S,4R,6R)-4-[(2R,3R,4S,5R,6R)-6-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-2,3-bis(phenylmethoxy)-6-(phenylmethoxymethyl)cyclohexan-1-ol

(1R,2S,3S,4R,6R)-4-[(2R,3R,4S,5R,6R)-6-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-2,3-bis(phenylmethoxy)-6-(phenylmethoxymethyl)cyclohexan-1-ol (PubChem CID 10605734) has the molecular formula C56H62O10 and a molecular weight of 895.10 g/mol. Its IUPAC name is (1R,2S,3S,4R,6R)-4-[(2R,3R,4S,5R,6R)-6-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-2,3-bis(phenylmethoxy)-6-(phenylmethoxymethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name(1R,2S,3S,4R,6R)-4-[(2R,3R,4S,5R,6R)-6-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-2,3-bis(phenylmethoxy)-6-(phenylmethoxymethyl)cyclohexan-1-ol
PubChem CID10605734
Molecular FormulaC56H62O10
Molecular Weight895.10 g/mol
Exact Mass894.43
IUPAC Name(1R,2S,3S,4R,6R)-4-[(2R,3R,4S,5R,6R)-6-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-2,3-bis(phenylmethoxy)-6-(phenylmethoxymethyl)cyclohexan-1-ol
SMILESCO[C@@H]1O[C@H](COCc2ccccc2)[C@@H](O[C@@H]2C[C@H](COCc3ccccc3)[C@@H](O)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C56H62O10/c1-58-56-55(64-38-46-30-18-7-19-31-46)54(63-37-45-28-16-6-17-29-45)52(49(66-56)40-60-34-42-22-10-3-11-23-42)65-48-32-47(39-59-33-41-20-8-2-9-21-41)50(57)53(62-36-44-26-14-5-15-27-44)51(48)61-35-43-24-12-4-13-25-43/h2-31,47-57H,32-40H2,1H3/t47-,48-,49-,50-,51+,52-,53+,54+,55-,56-/m1/s1
InChIKeyTYGFBGDHVGTTDC-CWOHQLLYSA-N
XLogP9.27
TPSA103.30 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds23
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500895.10
LogP ≤ 59.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze (1R,2S,3S,4R,6R)-4-[(2R,3R,4S,5R,6R)-6-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-2,3-bis(phenylmethoxy)-6-(phenylmethoxymethyl)cyclohexan-1-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

(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3R,4S,5R,6R)-6-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)oxan-3-ol
CID 10629194
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3R,4S,5R,6R)-6-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)oxan-3-ol
CID 10259776
(2R,3R,4R,5R,6R)-2-[[(2R,3S,4S,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol
CID 101487337
(2S,3S,4S,5R,6R)-2-methoxy-4-[[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-ol
CID 102027655
(2S,3S,4S,5S)-2-methoxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 66509215
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-methoxy-4-phenylmethoxy-5-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-ol
CID 101071806
(2R,3R,4S,5R,6R)-2-methoxy-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-4-ol
CID 10863561
(2S,3S,4S,5R,6R)-2-methoxy-3,4,5-tris(phenylmethoxy)-6-[[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]oxane
CID 101466652
(3R,4R,5S)-2-methoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-ol
CID 11267933
(2S,3R,4S,5R,6R)-2-[[(2R,3R,4R,5R)-5-methoxy-3,4-bis(phenylmethoxy)oxolan-2-yl]methoxy]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 100914116
(2S,3S,4S,5R,6S)-2-(iodomethyl)-6-methoxy-4,5-bis(phenylmethoxy)-3-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane
CID 10079675
(2R,3R,4R,5S,6R)-2-methoxy-5-phenylmethoxy-6-(phenylmethoxymethyl)oxane-3,4-diol
CID 102496220

Frequently Asked Questions

What is the IUPAC name of (1R,2S,3S,4R,6R)-4-[(2R,3R,4S,5R,6R)-6-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-2,3-bis(phenylmethoxy)-6-(phenylmethoxymethyl)cyclohexan-1-ol?
The IUPAC name of (1R,2S,3S,4R,6R)-4-[(2R,3R,4S,5R,6R)-6-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-2,3-bis(phenylmethoxy)-6-(phenylmethoxymethyl)cyclohexan-1-ol (CID 10605734) is (1R,2S,3S,4R,6R)-4-[(2R,3R,4S,5R,6R)-6-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-2,3-bis(phenylmethoxy)-6-(phenylmethoxymethyl)cyclohexan-1-ol.
What is the SMILES notation for (1R,2S,3S,4R,6R)-4-[(2R,3R,4S,5R,6R)-6-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-2,3-bis(phenylmethoxy)-6-(phenylmethoxymethyl)cyclohexan-1-ol?
The canonical SMILES for (1R,2S,3S,4R,6R)-4-[(2R,3R,4S,5R,6R)-6-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-2,3-bis(phenylmethoxy)-6-(phenylmethoxymethyl)cyclohexan-1-ol is CO[C@@H]1O[C@H](COCc2ccccc2)[C@@H](O[C@@H]2C[C@H](COCc3ccccc3)[C@@H](O)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1.
What is the InChIKey of (1R,2S,3S,4R,6R)-4-[(2R,3R,4S,5R,6R)-6-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-2,3-bis(phenylmethoxy)-6-(phenylmethoxymethyl)cyclohexan-1-ol?
The InChIKey is TYGFBGDHVGTTDC-CWOHQLLYSA-N. The full InChI is InChI=1S/C56H62O10/c1-58-56-55(64-38-46-30-18-7-19-31-46)54(63-37-45-28-16-6-17-29-45)52(49(66-56)40-60-34-42-22-10-3-11-23-42)65-48-32-47(39-59-33-41-20-8-2-9-21-41)50(57)53(62-36-44-26-14-5-15-27-44)51(48)61-35-43-24-12-4-13-25-43/h2-31,47-57H,32-40H2,1H3/t47-,48-,49-,50-,51+,52-,53+,54+,55-,56-/m1/s1.
What are the key properties of (1R,2S,3S,4R,6R)-4-[(2R,3R,4S,5R,6R)-6-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-2,3-bis(phenylmethoxy)-6-(phenylmethoxymethyl)cyclohexan-1-ol?
(1R,2S,3S,4R,6R)-4-[(2R,3R,4S,5R,6R)-6-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-2,3-bis(phenylmethoxy)-6-(phenylmethoxymethyl)cyclohexan-1-ol has a molecular weight of 895.10 g/mol, XLogP of 9.27, 23 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3S,4R,6R)-4-[(2R,3R,4S,5R,6R)-6-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-2,3-bis(phenylmethoxy)-6-(phenylmethoxymethyl)cyclohexan-1-ol is sourced from PubChem (CID 10605734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).