(2S,3R,4R,5R,6S)-2-methyl-3,4,5-tris(phenylmethoxy)-6-[[(2R,3S,4R)-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-4-yl]methyl]oxane

C48H52O7 — CID 101496779

IUPAC(2S,3R,4R,5R,6S)-2-methyl-3,4,5-tris(phenylmethoxy)-6-[[(2R,3S,4R)-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-4-yl]methyl]oxane
SMILESC[C@@H]1O[C@@H](C[C@@H]2C=CO[C@H](COCc3ccccc3)[C@H]2OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C48H52O7/c1-36-45(51-31-38-19-9-3-10-20-38)48(54-34-41-25-15-6-16-26-41)47(53-33-40-23-13-5-14-24-40)43(55-36)29-42-27-28-50-44(35-49-30-37-17-7-2-8-18-37)46(42)52-32-39-21-11-4-12-22-39/h2-28,36,42-48H,29-35H2,1H3/t36-,42-,43-,44+,45+,46-,47+,48+/m0/s1
InChIKeyVXEOYETZBBBLQO-ZMNPWEKGSA-N
MW740.94 g/mol
LogP9.25
Rot. Bonds18

About (2S,3R,4R,5R,6S)-2-methyl-3,4,5-tris(phenylmethoxy)-6-[[(2R,3S,4R)-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-4-yl]methyl]oxane

(2S,3R,4R,5R,6S)-2-methyl-3,4,5-tris(phenylmethoxy)-6-[[(2R,3S,4R)-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-4-yl]methyl]oxane (PubChem CID 101496779) has the molecular formula C48H52O7 and a molecular weight of 740.94 g/mol. Its IUPAC name is (2S,3R,4R,5R,6S)-2-methyl-3,4,5-tris(phenylmethoxy)-6-[[(2R,3S,4R)-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-4-yl]methyl]oxane.

Molecular Properties

Compound Name(2S,3R,4R,5R,6S)-2-methyl-3,4,5-tris(phenylmethoxy)-6-[[(2R,3S,4R)-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-4-yl]methyl]oxane
PubChem CID101496779
Molecular FormulaC48H52O7
Molecular Weight740.94 g/mol
Exact Mass740.37
IUPAC Name(2S,3R,4R,5R,6S)-2-methyl-3,4,5-tris(phenylmethoxy)-6-[[(2R,3S,4R)-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-4-yl]methyl]oxane
SMILESC[C@@H]1O[C@@H](C[C@@H]2C=CO[C@H](COCc3ccccc3)[C@H]2OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C48H52O7/c1-36-45(51-31-38-19-9-3-10-20-38)48(54-34-41-25-15-6-16-26-41)47(53-33-40-23-13-5-14-24-40)43(55-36)29-42-27-28-50-44(35-49-30-37-17-7-2-8-18-37)46(42)52-32-39-21-11-4-12-22-39/h2-28,36,42-48H,29-35H2,1H3/t36-,42-,43-,44+,45+,46-,47+,48+/m0/s1
InChIKeyVXEOYETZBBBLQO-ZMNPWEKGSA-N
XLogP9.25
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.94
LogP ≤ 59.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (2S,3R,4R,5R,6S)-2-methyl-3,4,5-tris(phenylmethoxy)-6-[[(2R,3S,4R)-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-4-yl]methyl]oxane with MolForge

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Related Compounds

(2R,3R,4R,5S,6S)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-[[(2R,3S,4R)-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-4-yl]methyl]oxane
CID 101496778
(2S,4S,5S)-2-methyl-3,4,5-tris(phenylmethoxy)-6-[[(2R,4S,5S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]oxane
CID 146032483
(3S,4R,5R,6R)-2-methyl-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane
CID 167040761
(2R,3S,5R)-2-methyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3-[(2R,3S,5R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane
CID 158301816
(3S,4S,6S)-4,6-dimethyl-5-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-ol
CID 126550257
2,4,5-trimethyl-3-phenylmethoxy-6-(phenylmethoxymethyl)oxane
CID 71099139
(2R,3R,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran
CID 2734741
[(2S,3S,4R,5S,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol
CID 170405483
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
[(2S,5R)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl acetate
CID 163477744
(2R,4S,6R)-2-methyl-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-4-amine
CID 118563862
(2S,3S,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-[[(2R,3R,4S,5S,6S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]methyl]oxan-3-ol
CID 101252030

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5R,6S)-2-methyl-3,4,5-tris(phenylmethoxy)-6-[[(2R,3S,4R)-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-4-yl]methyl]oxane?
The IUPAC name of (2S,3R,4R,5R,6S)-2-methyl-3,4,5-tris(phenylmethoxy)-6-[[(2R,3S,4R)-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-4-yl]methyl]oxane (CID 101496779) is (2S,3R,4R,5R,6S)-2-methyl-3,4,5-tris(phenylmethoxy)-6-[[(2R,3S,4R)-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-4-yl]methyl]oxane.
What is the SMILES notation for (2S,3R,4R,5R,6S)-2-methyl-3,4,5-tris(phenylmethoxy)-6-[[(2R,3S,4R)-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-4-yl]methyl]oxane?
The canonical SMILES for (2S,3R,4R,5R,6S)-2-methyl-3,4,5-tris(phenylmethoxy)-6-[[(2R,3S,4R)-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-4-yl]methyl]oxane is C[C@@H]1O[C@@H](C[C@@H]2C=CO[C@H](COCc3ccccc3)[C@H]2OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1.
What is the InChIKey of (2S,3R,4R,5R,6S)-2-methyl-3,4,5-tris(phenylmethoxy)-6-[[(2R,3S,4R)-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-4-yl]methyl]oxane?
The InChIKey is VXEOYETZBBBLQO-ZMNPWEKGSA-N. The full InChI is InChI=1S/C48H52O7/c1-36-45(51-31-38-19-9-3-10-20-38)48(54-34-41-25-15-6-16-26-41)47(53-33-40-23-13-5-14-24-40)43(55-36)29-42-27-28-50-44(35-49-30-37-17-7-2-8-18-37)46(42)52-32-39-21-11-4-12-22-39/h2-28,36,42-48H,29-35H2,1H3/t36-,42-,43-,44+,45+,46-,47+,48+/m0/s1.
What are the key properties of (2S,3R,4R,5R,6S)-2-methyl-3,4,5-tris(phenylmethoxy)-6-[[(2R,3S,4R)-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-4-yl]methyl]oxane?
(2S,3R,4R,5R,6S)-2-methyl-3,4,5-tris(phenylmethoxy)-6-[[(2R,3S,4R)-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-4-yl]methyl]oxane has a molecular weight of 740.94 g/mol, XLogP of 9.25, 18 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5R,6S)-2-methyl-3,4,5-tris(phenylmethoxy)-6-[[(2R,3S,4R)-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-4-yl]methyl]oxane is sourced from PubChem (CID 101496779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).