(2S,3R,4R,5R,6R)-2-methoxy-6-[[(2S,3R,4S,5S)-6-methylidene-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxymethyl]-4,5-bis(phenylmethoxy)oxan-3-ol

C48H52O10 — CID 10581132

IUPAC(2S,3R,4R,5R,6R)-2-methoxy-6-[[(2S,3R,4S,5S)-6-methylidene-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxymethyl]-4,5-bis(phenylmethoxy)oxan-3-ol
SMILESC=C1O[C@H](OC[C@H]2O[C@H](OC)[C@H](O)[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C48H52O10/c1-34-42(51-28-35-18-8-3-9-19-35)45(54-31-38-24-14-6-15-25-38)46(55-32-39-26-16-7-17-27-39)48(57-34)56-33-40-43(52-29-36-20-10-4-11-21-36)44(41(49)47(50-2)58-40)53-30-37-22-12-5-13-23-37/h3-27,40-49H,1,28-33H2,2H3/t40-,41-,42-,43-,44-,45+,46-,47+,48+/m1/s1
InChIKeyCKJYCFUXUSDKLH-UBRBJGGMSA-N
MW788.93 g/mol
LogP7.53
Rot. Bonds19

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

(2S,3R,4R,5R,6R)-2-methoxy-6-[[(2S,3R,4S,5S)-6-methylidene-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxymethyl]-4,5-bis(phenylmethoxy)oxan-3-ol (PubChem CID 10581132) has the molecular formula C48H52O10 and a molecular weight of 788.93 g/mol. Its IUPAC name is (2S,3R,4R,5R,6R)-2-methoxy-6-[[(2S,3R,4S,5S)-6-methylidene-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxymethyl]-4,5-bis(phenylmethoxy)oxan-3-ol.

Molecular Properties

Compound Name(2S,3R,4R,5R,6R)-2-methoxy-6-[[(2S,3R,4S,5S)-6-methylidene-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxymethyl]-4,5-bis(phenylmethoxy)oxan-3-ol
PubChem CID10581132
Molecular FormulaC48H52O10
Molecular Weight788.93 g/mol
Exact Mass788.36
IUPAC Name(2S,3R,4R,5R,6R)-2-methoxy-6-[[(2S,3R,4S,5S)-6-methylidene-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxymethyl]-4,5-bis(phenylmethoxy)oxan-3-ol
SMILESC=C1O[C@H](OC[C@H]2O[C@H](OC)[C@H](O)[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C48H52O10/c1-34-42(51-28-35-18-8-3-9-19-35)45(54-31-38-24-14-6-15-25-38)46(55-32-39-26-16-7-17-27-39)48(57-34)56-33-40-43(52-29-36-20-10-4-11-21-36)44(41(49)47(50-2)58-40)53-30-37-22-12-5-13-23-37/h3-27,40-49H,1,28-33H2,2H3/t40-,41-,42-,43-,44-,45+,46-,47+,48+/m1/s1
InChIKeyCKJYCFUXUSDKLH-UBRBJGGMSA-N
XLogP7.53
TPSA103.30 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds19
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500788.93
LogP ≤ 57.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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

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Related Compounds

(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
(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
2-(hydroxymethyl)-6-methoxy-4-[[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]oxane-3,5-diol
CID 134832557
(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
(3R,4R,5S)-2-methoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-ol
CID 11267933
(2S,3S,4S,5R,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-prop-2-enyloxan-3-ol
CID 102372231
[(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
(2R,3S,4S,5R)-2-(hydroxymethyl)-6-methoxy-4,5-bis(phenylmethoxy)oxan-3-ol
CID 102185522
(2S,3S,4S,5R,6R)-2-methoxy-6-(methoxymethyl)-3,4,5-tris(phenylmethoxy)oxane
CID 67155731
(2R,3R,4R,5R,6R)-6-[(4-chlorophenyl)methoxymethyl]-2-methoxy-4,5-bis(phenylmethoxy)oxan-3-ol
CID 22956578
(3R,4R,5R,6R)-6-[(4-bromophenyl)methoxymethyl]-2-methoxy-4,5-bis(phenylmethoxy)oxan-3-ol
CID 70039715
(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

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5R,6R)-2-methoxy-6-[[(2S,3R,4S,5S)-6-methylidene-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxymethyl]-4,5-bis(phenylmethoxy)oxan-3-ol?
The IUPAC name of (2S,3R,4R,5R,6R)-2-methoxy-6-[[(2S,3R,4S,5S)-6-methylidene-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxymethyl]-4,5-bis(phenylmethoxy)oxan-3-ol (CID 10581132) is (2S,3R,4R,5R,6R)-2-methoxy-6-[[(2S,3R,4S,5S)-6-methylidene-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxymethyl]-4,5-bis(phenylmethoxy)oxan-3-ol.
What is the SMILES notation for (2S,3R,4R,5R,6R)-2-methoxy-6-[[(2S,3R,4S,5S)-6-methylidene-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxymethyl]-4,5-bis(phenylmethoxy)oxan-3-ol?
The canonical SMILES for (2S,3R,4R,5R,6R)-2-methoxy-6-[[(2S,3R,4S,5S)-6-methylidene-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxymethyl]-4,5-bis(phenylmethoxy)oxan-3-ol is C=C1O[C@H](OC[C@H]2O[C@H](OC)[C@H](O)[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1.
What is the InChIKey of (2S,3R,4R,5R,6R)-2-methoxy-6-[[(2S,3R,4S,5S)-6-methylidene-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxymethyl]-4,5-bis(phenylmethoxy)oxan-3-ol?
The InChIKey is CKJYCFUXUSDKLH-UBRBJGGMSA-N. The full InChI is InChI=1S/C48H52O10/c1-34-42(51-28-35-18-8-3-9-19-35)45(54-31-38-24-14-6-15-25-38)46(55-32-39-26-16-7-17-27-39)48(57-34)56-33-40-43(52-29-36-20-10-4-11-21-36)44(41(49)47(50-2)58-40)53-30-37-22-12-5-13-23-37/h3-27,40-49H,1,28-33H2,2H3/t40-,41-,42-,43-,44-,45+,46-,47+,48+/m1/s1.
What are the key properties of (2S,3R,4R,5R,6R)-2-methoxy-6-[[(2S,3R,4S,5S)-6-methylidene-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxymethyl]-4,5-bis(phenylmethoxy)oxan-3-ol?
(2S,3R,4R,5R,6R)-2-methoxy-6-[[(2S,3R,4S,5S)-6-methylidene-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxymethyl]-4,5-bis(phenylmethoxy)oxan-3-ol has a molecular weight of 788.93 g/mol, XLogP of 7.53, 19 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5R,6R)-2-methoxy-6-[[(2S,3R,4S,5S)-6-methylidene-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxymethyl]-4,5-bis(phenylmethoxy)oxan-3-ol is sourced from PubChem (CID 10581132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).