(2S,3S,4S,5S,6R)-2-methoxy-6-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxane-3,4,5-triol

C27H30O7 — CID 10994273

IUPAC(2S,3S,4S,5S,6R)-2-methoxy-6-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxane-3,4,5-triol
SMILESCOc1ccc(C(OC[C@H]2O[C@H](OC)[C@@H](O)[C@@H](O)[C@@H]2O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H30O7/c1-31-21-15-13-20(14-16-21)27(18-9-5-3-6-10-18,19-11-7-4-8-12-19)33-17-22-23(28)24(29)25(30)26(32-2)34-22/h3-16,22-26,28-30H,17H2,1-2H3/t22-,23-,24+,25+,26+/m1/s1
InChIKeyMFDHKPAATBXOIE-JMTTVTNBSA-N
MW466.53 g/mol
LogP2.46
Rot. Bonds8

About (2S,3S,4S,5S,6R)-2-methoxy-6-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxane-3,4,5-triol

(2S,3S,4S,5S,6R)-2-methoxy-6-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxane-3,4,5-triol (PubChem CID 10994273) has the molecular formula C27H30O7 and a molecular weight of 466.53 g/mol. Its IUPAC name is (2S,3S,4S,5S,6R)-2-methoxy-6-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxane-3,4,5-triol.

Molecular Properties

Compound Name(2S,3S,4S,5S,6R)-2-methoxy-6-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxane-3,4,5-triol
PubChem CID10994273
Molecular FormulaC27H30O7
Molecular Weight466.53 g/mol
Exact Mass466.20
IUPAC Name(2S,3S,4S,5S,6R)-2-methoxy-6-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxane-3,4,5-triol
SMILESCOc1ccc(C(OC[C@H]2O[C@H](OC)[C@@H](O)[C@@H](O)[C@@H]2O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H30O7/c1-31-21-15-13-20(14-16-21)27(18-9-5-3-6-10-18,19-11-7-4-8-12-19)33-17-22-23(28)24(29)25(30)26(32-2)34-22/h3-16,22-26,28-30H,17H2,1-2H3/t22-,23-,24+,25+,26+/m1/s1
InChIKeyMFDHKPAATBXOIE-JMTTVTNBSA-N
XLogP2.46
TPSA97.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.53
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (2S,3S,4S,5S,6R)-2-methoxy-6-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxane-3,4,5-triol 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,3R,4S,5R)-2-methoxy-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolane-3,4-diol
CID 102329501
(2R,3R,4S,5R,6R)-2-methoxy-6-(trityloxymethyl)oxane-3,4,5-triol
CID 21139713
(2S,3R,4R,5S,6S)-2-methoxy-6-(trityloxymethyl)oxane-3,4,5-triol
CID 7332588
2-methoxy-5-(trityloxymethyl)oxolane-3,4-diol
CID 618218
(2S,3R,4S,5R)-2-methoxy-5-(trityloxymethyl)oxolane-3,4-diol
CID 70409526
(2R,3S,4S,5R,6S)-2-[[diphenyl-(4-sulfanylphenyl)methoxy]methyl]-6-methoxyoxane-3,4,5-triol
CID 102353072
2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-6-(5-butoxypentoxy)oxane-3,4,5-triol
CID 164788382
(1R,2S,4R,5S,6R)-2-methoxy-4-(trityloxymethyl)-3,7-dioxabicyclo[4.1.0]heptan-5-ol
CID 15708619
(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-fluorooxolane-2,4-diol
CID 171124942
(2R,3R,4R,5R)-4-fluoro-2-methoxy-5-(trityloxymethyl)oxolan-3-ol
CID 101037426
(2S,3R)-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3-methyloxirane
CID 10861318
(2S,3S,4S,5S,6R)-2-phenylmethoxy-6-(trityloxymethyl)oxane-3,4,5-triol
CID 10459079

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5S,6R)-2-methoxy-6-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxane-3,4,5-triol?
The IUPAC name of (2S,3S,4S,5S,6R)-2-methoxy-6-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxane-3,4,5-triol (CID 10994273) is (2S,3S,4S,5S,6R)-2-methoxy-6-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxane-3,4,5-triol.
What is the SMILES notation for (2S,3S,4S,5S,6R)-2-methoxy-6-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxane-3,4,5-triol?
The canonical SMILES for (2S,3S,4S,5S,6R)-2-methoxy-6-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxane-3,4,5-triol is COc1ccc(C(OC[C@H]2O[C@H](OC)[C@@H](O)[C@@H](O)[C@@H]2O)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (2S,3S,4S,5S,6R)-2-methoxy-6-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxane-3,4,5-triol?
The InChIKey is MFDHKPAATBXOIE-JMTTVTNBSA-N. The full InChI is InChI=1S/C27H30O7/c1-31-21-15-13-20(14-16-21)27(18-9-5-3-6-10-18,19-11-7-4-8-12-19)33-17-22-23(28)24(29)25(30)26(32-2)34-22/h3-16,22-26,28-30H,17H2,1-2H3/t22-,23-,24+,25+,26+/m1/s1.
What are the key properties of (2S,3S,4S,5S,6R)-2-methoxy-6-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxane-3,4,5-triol?
(2S,3S,4S,5S,6R)-2-methoxy-6-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxane-3,4,5-triol has a molecular weight of 466.53 g/mol, XLogP of 2.46, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,5S,6R)-2-methoxy-6-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxane-3,4,5-triol is sourced from PubChem (CID 10994273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).