(4R,5S,6R)-4-phenylmethoxy-6-(phenylmethoxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-one

C54H56O10 — CID 10724297

IUPAC(4R,5S,6R)-4-phenylmethoxy-6-(phenylmethoxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-one
SMILESO=C1C[C@@H](OCc2ccccc2)[C@H](O[C@@H]2O[C@H](COCc3ccccc3)[C@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)[C@@H](COCc2ccccc2)O1
InChIInChI=1S/C54H56O10/c55-49-31-46(58-34-42-23-11-3-12-24-42)50(47(62-49)38-56-32-40-19-7-1-8-20-40)64-54-53(61-37-45-29-17-6-18-30-45)52(60-36-44-27-15-5-16-28-44)51(59-35-43-25-13-4-14-26-43)48(63-54)39-57-33-41-21-9-2-10-22-41/h1-30,46-48,50-54H,31-39H2/t46-,47-,48-,50+,51+,52+,53-,54+/m1/s1
InChIKeyAKGNTMUOZSAAFM-CRWJRRQZSA-N
MW865.03 g/mol
LogP9.19
Rot. Bonds22

About (4R,5S,6R)-4-phenylmethoxy-6-(phenylmethoxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-one

(4R,5S,6R)-4-phenylmethoxy-6-(phenylmethoxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-one (PubChem CID 10724297) has the molecular formula C54H56O10 and a molecular weight of 865.03 g/mol. Its IUPAC name is (4R,5S,6R)-4-phenylmethoxy-6-(phenylmethoxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-one.

Molecular Properties

Compound Name(4R,5S,6R)-4-phenylmethoxy-6-(phenylmethoxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-one
PubChem CID10724297
Molecular FormulaC54H56O10
Molecular Weight865.03 g/mol
Exact Mass864.39
IUPAC Name(4R,5S,6R)-4-phenylmethoxy-6-(phenylmethoxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-one
SMILESO=C1C[C@@H](OCc2ccccc2)[C@H](O[C@@H]2O[C@H](COCc3ccccc3)[C@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)[C@@H](COCc2ccccc2)O1
InChIInChI=1S/C54H56O10/c55-49-31-46(58-34-42-23-11-3-12-24-42)50(47(62-49)38-56-32-40-19-7-1-8-20-40)64-54-53(61-37-45-29-17-6-18-30-45)52(60-36-44-27-15-5-16-28-44)51(59-35-43-25-13-4-14-26-43)48(63-54)39-57-33-41-21-9-2-10-22-41/h1-30,46-48,50-54H,31-39H2/t46-,47-,48-,50+,51+,52+,53-,54+/m1/s1
InChIKeyAKGNTMUOZSAAFM-CRWJRRQZSA-N
XLogP9.19
TPSA100.14 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds22
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500865.03
LogP ≤ 59.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze (4R,5S,6R)-4-phenylmethoxy-6-(phenylmethoxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-one with MolForge

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Related Compounds

(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane
CID 56651177
(4R,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-one
CID 10686548
2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-3-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane
CID 3665979
(2S,3S,4S,5R,6R)-2,3,4,5-tetrakis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 66864680
(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
(1S,2S,3R,4S,5R,6S)-2,3,4,5-tetrakis(phenylmethoxy)-6-[(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxycyclohexan-1-ol
CID 101187763
4,5-bis(phenylmethoxy)-6-[(3-phenylmethoxyphenyl)methoxymethyl]oxan-2-one
CID 142349340
(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
(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,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
(2S,3S,4S,5S)-2-methoxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 66509215
[(3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl] hypofluorite
CID 101133508

Frequently Asked Questions

What is the IUPAC name of (4R,5S,6R)-4-phenylmethoxy-6-(phenylmethoxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-one?
The IUPAC name of (4R,5S,6R)-4-phenylmethoxy-6-(phenylmethoxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-one (CID 10724297) is (4R,5S,6R)-4-phenylmethoxy-6-(phenylmethoxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-one.
What is the SMILES notation for (4R,5S,6R)-4-phenylmethoxy-6-(phenylmethoxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-one?
The canonical SMILES for (4R,5S,6R)-4-phenylmethoxy-6-(phenylmethoxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-one is O=C1C[C@@H](OCc2ccccc2)[C@H](O[C@@H]2O[C@H](COCc3ccccc3)[C@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)[C@@H](COCc2ccccc2)O1.
What is the InChIKey of (4R,5S,6R)-4-phenylmethoxy-6-(phenylmethoxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-one?
The InChIKey is AKGNTMUOZSAAFM-CRWJRRQZSA-N. The full InChI is InChI=1S/C54H56O10/c55-49-31-46(58-34-42-23-11-3-12-24-42)50(47(62-49)38-56-32-40-19-7-1-8-20-40)64-54-53(61-37-45-29-17-6-18-30-45)52(60-36-44-27-15-5-16-28-44)51(59-35-43-25-13-4-14-26-43)48(63-54)39-57-33-41-21-9-2-10-22-41/h1-30,46-48,50-54H,31-39H2/t46-,47-,48-,50+,51+,52+,53-,54+/m1/s1.
What are the key properties of (4R,5S,6R)-4-phenylmethoxy-6-(phenylmethoxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-one?
(4R,5S,6R)-4-phenylmethoxy-6-(phenylmethoxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-one has a molecular weight of 865.03 g/mol, XLogP of 9.19, 22 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S,6R)-4-phenylmethoxy-6-(phenylmethoxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-one is sourced from PubChem (CID 10724297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).