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

C56H59F3O10 — CID 175999132

IUPAC(2R,3R,5R,6S)-2-[[(3S,4R,5S,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3-(trifluoromethyl)oxan-2-yl]oxymethyl]-6-methoxy-3,4,5-tris(phenylmethoxy)oxane
SMILESCO[C@H]1O[C@H](COC2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@@H]2C(F)(F)F)[C@@H](OCc2ccccc2)C(OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C56H59F3O10/c1-60-55-53(66-37-45-30-18-7-19-31-45)52(65-36-44-28-16-6-17-29-44)50(63-34-42-24-12-4-13-25-42)47(69-55)39-67-54-48(56(57,58)59)51(64-35-43-26-14-5-15-27-43)49(62-33-41-22-10-3-11-23-41)46(68-54)38-61-32-40-20-8-2-9-21-40/h2-31,46-55H,32-39H2,1H3/t46-,47-,48+,49-,50-,51-,52?,53-,54?,55+/m1/s1
InChIKeyGVTZMEFBCDHCCJ-PVMXMPHHSA-N
MW949.07 g/mol
LogP10.42
Rot. Bonds23

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

(2R,3R,5R,6S)-2-[[(3S,4R,5S,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3-(trifluoromethyl)oxan-2-yl]oxymethyl]-6-methoxy-3,4,5-tris(phenylmethoxy)oxane (PubChem CID 175999132) has the molecular formula C56H59F3O10 and a molecular weight of 949.07 g/mol. Its IUPAC name is (2R,3R,5R,6S)-2-[[(3S,4R,5S,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3-(trifluoromethyl)oxan-2-yl]oxymethyl]-6-methoxy-3,4,5-tris(phenylmethoxy)oxane.

Molecular Properties

Compound Name(2R,3R,5R,6S)-2-[[(3S,4R,5S,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3-(trifluoromethyl)oxan-2-yl]oxymethyl]-6-methoxy-3,4,5-tris(phenylmethoxy)oxane
PubChem CID175999132
Molecular FormulaC56H59F3O10
Molecular Weight949.07 g/mol
Exact Mass948.41
IUPAC Name(2R,3R,5R,6S)-2-[[(3S,4R,5S,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3-(trifluoromethyl)oxan-2-yl]oxymethyl]-6-methoxy-3,4,5-tris(phenylmethoxy)oxane
SMILESCO[C@H]1O[C@H](COC2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@@H]2C(F)(F)F)[C@@H](OCc2ccccc2)C(OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C56H59F3O10/c1-60-55-53(66-37-45-30-18-7-19-31-45)52(65-36-44-28-16-6-17-29-44)50(63-34-42-24-12-4-13-25-42)47(69-55)39-67-54-48(56(57,58)59)51(64-35-43-26-14-5-15-27-43)49(62-33-41-22-10-3-11-23-41)46(68-54)38-61-32-40-20-8-2-9-21-40/h2-31,46-55H,32-39H2,1H3/t46-,47-,48+,49-,50-,51-,52?,53-,54?,55+/m1/s1
InChIKeyGVTZMEFBCDHCCJ-PVMXMPHHSA-N
XLogP10.42
TPSA92.30 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds23
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500949.07
LogP ≤ 510.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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

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Related Compounds

(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
(2S,3R,4S,5R,6R)-2-[[(2R,3R,4R,5R)-5-methoxy-3,4-bis(phenylmethoxy)oxolan-2-yl]methoxy]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 100914116
(2S,3S,4S,5S)-2-methoxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 66509215
(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
(2S,3R,4R,5R,6R)-2-methoxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5-[(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]peroxyoxane
CID 100959674
(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
(2S,3R,4R,5R)-2,3-dimethoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane
CID 59796294
[(2S,3R,4S,5R,6R)-2-[(2R,3R,4S,5R,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl] trifluoromethanesulfonate
CID 102122168
(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
[(2S,3S,4S,5R,6R)-2-[[(2R,3R,4S,5S,6S)-6-[[(2R,3R,4S,5S,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl] acetate
CID 25193340
[(3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl] hypofluorite
CID 101133508
(2R,3R,4S,5S,6R)-5-methoxy-2,3,4-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 165343769

Frequently Asked Questions

What is the IUPAC name of (2R,3R,5R,6S)-2-[[(3S,4R,5S,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3-(trifluoromethyl)oxan-2-yl]oxymethyl]-6-methoxy-3,4,5-tris(phenylmethoxy)oxane?
The IUPAC name of (2R,3R,5R,6S)-2-[[(3S,4R,5S,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3-(trifluoromethyl)oxan-2-yl]oxymethyl]-6-methoxy-3,4,5-tris(phenylmethoxy)oxane (CID 175999132) is (2R,3R,5R,6S)-2-[[(3S,4R,5S,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3-(trifluoromethyl)oxan-2-yl]oxymethyl]-6-methoxy-3,4,5-tris(phenylmethoxy)oxane.
What is the SMILES notation for (2R,3R,5R,6S)-2-[[(3S,4R,5S,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3-(trifluoromethyl)oxan-2-yl]oxymethyl]-6-methoxy-3,4,5-tris(phenylmethoxy)oxane?
The canonical SMILES for (2R,3R,5R,6S)-2-[[(3S,4R,5S,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3-(trifluoromethyl)oxan-2-yl]oxymethyl]-6-methoxy-3,4,5-tris(phenylmethoxy)oxane is CO[C@H]1O[C@H](COC2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@@H]2C(F)(F)F)[C@@H](OCc2ccccc2)C(OCc2ccccc2)[C@H]1OCc1ccccc1.
What is the InChIKey of (2R,3R,5R,6S)-2-[[(3S,4R,5S,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3-(trifluoromethyl)oxan-2-yl]oxymethyl]-6-methoxy-3,4,5-tris(phenylmethoxy)oxane?
The InChIKey is GVTZMEFBCDHCCJ-PVMXMPHHSA-N. The full InChI is InChI=1S/C56H59F3O10/c1-60-55-53(66-37-45-30-18-7-19-31-45)52(65-36-44-28-16-6-17-29-44)50(63-34-42-24-12-4-13-25-42)47(69-55)39-67-54-48(56(57,58)59)51(64-35-43-26-14-5-15-27-43)49(62-33-41-22-10-3-11-23-41)46(68-54)38-61-32-40-20-8-2-9-21-40/h2-31,46-55H,32-39H2,1H3/t46-,47-,48+,49-,50-,51-,52?,53-,54?,55+/m1/s1.
What are the key properties of (2R,3R,5R,6S)-2-[[(3S,4R,5S,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3-(trifluoromethyl)oxan-2-yl]oxymethyl]-6-methoxy-3,4,5-tris(phenylmethoxy)oxane?
(2R,3R,5R,6S)-2-[[(3S,4R,5S,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3-(trifluoromethyl)oxan-2-yl]oxymethyl]-6-methoxy-3,4,5-tris(phenylmethoxy)oxane has a molecular weight of 949.07 g/mol, XLogP of 10.42, 23 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,5R,6S)-2-[[(3S,4R,5S,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3-(trifluoromethyl)oxan-2-yl]oxymethyl]-6-methoxy-3,4,5-tris(phenylmethoxy)oxane is sourced from PubChem (CID 175999132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).