(2R,3R,4S,5R,6R)-2-[1,3-bis[1,3-bis[1,3-bis(phenylmethoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C83H102O20 — CID 101449850

IUPAC(2R,3R,4S,5R,6R)-2-[1,3-bis[1,3-bis[1,3-bis(phenylmethoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESOC[C@H]1O[C@@H](OC(COC(COC(COCc2ccccc2)COCc2ccccc2)COC(COCc2ccccc2)COCc2ccccc2)COC(COC(COCc2ccccc2)COCc2ccccc2)COC(COCc2ccccc2)COCc2ccccc2)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C83H102O20/c84-41-79-80(85)81(86)82(87)83(103-79)102-78(62-100-76(58-96-72(50-88-42-64-25-9-1-10-26-64)51-89-43-65-27-11-2-12-28-65)59-97-73(52-90-44-66-29-13-3-14-30-66)53-91-45-67-31-15-4-16-32-67)63-101-77(60-98-74(54-92-46-68-33-17-5-18-34-68)55-93-47-69-35-19-6-20-36-69)61-99-75(56-94-48-70-37-21-7-22-38-70)57-95-49-71-39-23-8-24-40-71/h1-40,72-87H,41-63H2/t79-,80+,81+,82-,83-/m1/s1
InChIKeyGNUVVWSZLDUFIY-DDMHGUTMSA-N
MW1419.71 g/mol
LogP10.22
Rot. Bonds53

About (2R,3R,4S,5R,6R)-2-[1,3-bis[1,3-bis[1,3-bis(phenylmethoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol

(2R,3R,4S,5R,6R)-2-[1,3-bis[1,3-bis[1,3-bis(phenylmethoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 101449850) has the molecular formula C83H102O20 and a molecular weight of 1419.71 g/mol. Its IUPAC name is (2R,3R,4S,5R,6R)-2-[1,3-bis[1,3-bis[1,3-bis(phenylmethoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4S,5R,6R)-2-[1,3-bis[1,3-bis[1,3-bis(phenylmethoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID101449850
Molecular FormulaC83H102O20
Molecular Weight1419.71 g/mol
Exact Mass1418.70
IUPAC Name(2R,3R,4S,5R,6R)-2-[1,3-bis[1,3-bis[1,3-bis(phenylmethoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESOC[C@H]1O[C@@H](OC(COC(COC(COCc2ccccc2)COCc2ccccc2)COC(COCc2ccccc2)COCc2ccccc2)COC(COC(COCc2ccccc2)COCc2ccccc2)COC(COCc2ccccc2)COCc2ccccc2)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C83H102O20/c84-41-79-80(85)81(86)82(87)83(103-79)102-78(62-100-76(58-96-72(50-88-42-64-25-9-1-10-26-64)51-89-43-65-27-11-2-12-28-65)59-97-73(52-90-44-66-29-13-3-14-30-66)53-91-45-67-31-15-4-16-32-67)63-101-77(60-98-74(54-92-46-68-33-17-5-18-34-68)55-93-47-69-35-19-6-20-36-69)61-99-75(56-94-48-70-37-21-7-22-38-70)57-95-49-71-39-23-8-24-40-71/h1-40,72-87H,41-63H2/t79-,80+,81+,82-,83-/m1/s1
InChIKeyGNUVVWSZLDUFIY-DDMHGUTMSA-N
XLogP10.22
TPSA228.60 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds53
Heavy Atoms103
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001419.71
LogP ≤ 510.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Analyze (2R,3R,4S,5R,6R)-2-[1,3-bis[1,3-bis[1,3-bis(phenylmethoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol with MolForge

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Related Compounds

N-[(3R,4R,5S,6R)-2-[1,3-bis[1,3-bis(phenylmethoxy)propan-2-yloxy]propan-2-yloxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 101365760
(3S,5S,6R)-2-(hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol
CID 45038278
(2S,3R,4R,5R,6R)-2-(hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol
CID 102431247
(2S,3S,4S)-2-(hydroxymethyl)-5-phenylmethoxyoxolane-3,4-diol
CID 54063014
(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[[3-(phenylmethoxymethyl)-5-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]phenyl]methoxy]oxane-3,4,5-triol
CID 102068966
(2S)-3-phenyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropanoic acid
CID 102577490
(2R,3R,4S,5S,6R)-2-benzhydryloxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 101271138
3-[1,3-bis[1,3-bis(phenylmethoxy)propan-2-yloxy]propan-2-yloxy]propane-1,2-diol
CID 10508688
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[1-(2-hydroxyphenyl)ethoxy]oxane-3,4,5-triol
CID 175220667
(4R,5S)-2-(hydroxymethyl)-5-methyl-6-phenylmethoxyoxane-3,4-diol
CID 129223206
(3R,6S)-5-amino-2-(hydroxymethyl)-6-phenylmethoxyoxane-3,4-diol
CID 131700365
(2S,3R,4S,5R,6R)-2-[(3S,4R)-3,4-bis(phenylmethoxy)hexoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 174183671

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R,6R)-2-[1,3-bis[1,3-bis[1,3-bis(phenylmethoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of (2R,3R,4S,5R,6R)-2-[1,3-bis[1,3-bis[1,3-bis(phenylmethoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol (CID 101449850) is (2R,3R,4S,5R,6R)-2-[1,3-bis[1,3-bis[1,3-bis(phenylmethoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for (2R,3R,4S,5R,6R)-2-[1,3-bis[1,3-bis[1,3-bis(phenylmethoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for (2R,3R,4S,5R,6R)-2-[1,3-bis[1,3-bis[1,3-bis(phenylmethoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol is OC[C@H]1O[C@@H](OC(COC(COC(COCc2ccccc2)COCc2ccccc2)COC(COCc2ccccc2)COCc2ccccc2)COC(COC(COCc2ccccc2)COCc2ccccc2)COC(COCc2ccccc2)COCc2ccccc2)[C@H](O)[C@@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4S,5R,6R)-2-[1,3-bis[1,3-bis[1,3-bis(phenylmethoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is GNUVVWSZLDUFIY-DDMHGUTMSA-N. The full InChI is InChI=1S/C83H102O20/c84-41-79-80(85)81(86)82(87)83(103-79)102-78(62-100-76(58-96-72(50-88-42-64-25-9-1-10-26-64)51-89-43-65-27-11-2-12-28-65)59-97-73(52-90-44-66-29-13-3-14-30-66)53-91-45-67-31-15-4-16-32-67)63-101-77(60-98-74(54-92-46-68-33-17-5-18-34-68)55-93-47-69-35-19-6-20-36-69)61-99-75(56-94-48-70-37-21-7-22-38-70)57-95-49-71-39-23-8-24-40-71/h1-40,72-87H,41-63H2/t79-,80+,81+,82-,83-/m1/s1.
What are the key properties of (2R,3R,4S,5R,6R)-2-[1,3-bis[1,3-bis[1,3-bis(phenylmethoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
(2R,3R,4S,5R,6R)-2-[1,3-bis[1,3-bis[1,3-bis(phenylmethoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 1419.71 g/mol, XLogP of 10.22, 53 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R,6R)-2-[1,3-bis[1,3-bis[1,3-bis(phenylmethoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 101449850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).