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

C55H60O10 — CID 10533690

IUPAC(1R,2R,3S,4S,5S)-5-[[(2R,3R,4S,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-2,3,4-tris(phenylmethoxy)cyclohexan-1-ol
SMILESCO[C@@H]1O[C@H](CO[C@H]2C[C@@H](O)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C55H60O10/c1-57-55-54(64-38-45-30-18-7-19-31-45)53(63-37-44-28-16-6-17-29-44)51(61-35-42-24-12-4-13-25-42)48(65-55)39-58-47-32-46(56)49(59-33-40-20-8-2-9-21-40)52(62-36-43-26-14-5-15-27-43)50(47)60-34-41-22-10-3-11-23-41/h2-31,46-56H,32-39H2,1H3/t46-,47+,48-,49-,50+,51-,52+,53+,54-,55-/m1/s1
InChIKeyNNWSEWHXCQOWFN-MQXINTBUSA-N
MW881.08 g/mol
LogP9.02
Rot. Bonds22

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

(1R,2R,3S,4S,5S)-5-[[(2R,3R,4S,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-2,3,4-tris(phenylmethoxy)cyclohexan-1-ol (PubChem CID 10533690) has the molecular formula C55H60O10 and a molecular weight of 881.08 g/mol. Its IUPAC name is (1R,2R,3S,4S,5S)-5-[[(2R,3R,4S,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-2,3,4-tris(phenylmethoxy)cyclohexan-1-ol.

Molecular Properties

Compound Name(1R,2R,3S,4S,5S)-5-[[(2R,3R,4S,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-2,3,4-tris(phenylmethoxy)cyclohexan-1-ol
PubChem CID10533690
Molecular FormulaC55H60O10
Molecular Weight881.08 g/mol
Exact Mass880.42
IUPAC Name(1R,2R,3S,4S,5S)-5-[[(2R,3R,4S,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-2,3,4-tris(phenylmethoxy)cyclohexan-1-ol
SMILESCO[C@@H]1O[C@H](CO[C@H]2C[C@@H](O)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C55H60O10/c1-57-55-54(64-38-45-30-18-7-19-31-45)53(63-37-44-28-16-6-17-29-44)51(61-35-42-24-12-4-13-25-42)48(65-55)39-58-47-32-46(56)49(59-33-40-20-8-2-9-21-40)52(62-36-43-26-14-5-15-27-43)50(47)60-34-41-22-10-3-11-23-41/h2-31,46-56H,32-39H2,1H3/t46-,47+,48-,49-,50+,51-,52+,53+,54-,55-/m1/s1
InChIKeyNNWSEWHXCQOWFN-MQXINTBUSA-N
XLogP9.02
TPSA103.30 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds22
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500881.08
LogP ≤ 59.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze (1R,2R,3S,4S,5S)-5-[[(2R,3R,4S,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-2,3,4-tris(phenylmethoxy)cyclohexan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

(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
(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,5S)-2-methoxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 66509215
(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
[(3R,6S)-6-[[(3R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol
CID 163470543
(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,5R,6R)-2-methoxy-6-(methoxymethyl)-3,4,5-tris(phenylmethoxy)oxane
CID 67155731
(2R,3R,4S,5R,6S)-2-(chloromethoxymethyl)-6-methoxy-3,4,5-tris(phenylmethoxy)oxane
CID 54470697
(2S,3R,4R,5S,6S)-2-[[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-6-methyl-4-phenylmethoxyoxane-3,5-diol
CID 101238570
[(2R,3R,4R,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol
CID 23245862
(2S,3R,4S,5S,6R)-2,3,4,5-tetrakis(phenylmethoxy)-6-[[(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]oxane
CID 14018148
2-(hydroxymethyl)-6-methoxy-4-[[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]oxane-3,5-diol
CID 134832557

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3S,4S,5S)-5-[[(2R,3R,4S,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-2,3,4-tris(phenylmethoxy)cyclohexan-1-ol?
The IUPAC name of (1R,2R,3S,4S,5S)-5-[[(2R,3R,4S,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-2,3,4-tris(phenylmethoxy)cyclohexan-1-ol (CID 10533690) is (1R,2R,3S,4S,5S)-5-[[(2R,3R,4S,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-2,3,4-tris(phenylmethoxy)cyclohexan-1-ol.
What is the SMILES notation for (1R,2R,3S,4S,5S)-5-[[(2R,3R,4S,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-2,3,4-tris(phenylmethoxy)cyclohexan-1-ol?
The canonical SMILES for (1R,2R,3S,4S,5S)-5-[[(2R,3R,4S,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-2,3,4-tris(phenylmethoxy)cyclohexan-1-ol is CO[C@@H]1O[C@H](CO[C@H]2C[C@@H](O)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1.
What is the InChIKey of (1R,2R,3S,4S,5S)-5-[[(2R,3R,4S,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-2,3,4-tris(phenylmethoxy)cyclohexan-1-ol?
The InChIKey is NNWSEWHXCQOWFN-MQXINTBUSA-N. The full InChI is InChI=1S/C55H60O10/c1-57-55-54(64-38-45-30-18-7-19-31-45)53(63-37-44-28-16-6-17-29-44)51(61-35-42-24-12-4-13-25-42)48(65-55)39-58-47-32-46(56)49(59-33-40-20-8-2-9-21-40)52(62-36-43-26-14-5-15-27-43)50(47)60-34-41-22-10-3-11-23-41/h2-31,46-56H,32-39H2,1H3/t46-,47+,48-,49-,50+,51-,52+,53+,54-,55-/m1/s1.
What are the key properties of (1R,2R,3S,4S,5S)-5-[[(2R,3R,4S,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-2,3,4-tris(phenylmethoxy)cyclohexan-1-ol?
(1R,2R,3S,4S,5S)-5-[[(2R,3R,4S,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-2,3,4-tris(phenylmethoxy)cyclohexan-1-ol has a molecular weight of 881.08 g/mol, XLogP of 9.02, 22 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3S,4S,5S)-5-[[(2R,3R,4S,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-2,3,4-tris(phenylmethoxy)cyclohexan-1-ol is sourced from PubChem (CID 10533690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).