(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

C62H66O10 — CID 146032483

IUPAC(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
SMILESC[C@@H]1OC(CO[C@@H]2OC(COCc3ccccc3)[C@H](OCc3ccccc3)[C@H](OCc3ccccc3)C2OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C62H66O10/c1-46-56(64-38-48-25-11-3-12-26-48)59(67-41-51-31-17-6-18-32-51)58(66-40-50-29-15-5-16-30-50)55(71-46)45-70-62-61(69-43-53-35-21-8-22-36-53)60(68-42-52-33-19-7-20-34-52)57(65-39-49-27-13-4-14-28-49)54(72-62)44-63-37-47-23-9-2-10-24-47/h2-36,46,54-62H,37-45H2,1H3/t46-,54?,55?,56?,57-,58-,59-,60-,61?,62+/m0/s1
InChIKeyKIORMKIEJLRSLS-YHLPVGSGSA-N
MW971.20 g/mol
LogP11.24
Rot. Bonds25

About (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

(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 (PubChem CID 146032483) has the molecular formula C62H66O10 and a molecular weight of 971.20 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID146032483
Molecular FormulaC62H66O10
Molecular Weight971.20 g/mol
Exact Mass970.47
IUPAC Name(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
SMILESC[C@@H]1OC(CO[C@@H]2OC(COCc3ccccc3)[C@H](OCc3ccccc3)[C@H](OCc3ccccc3)C2OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C62H66O10/c1-46-56(64-38-48-25-11-3-12-26-48)59(67-41-51-31-17-6-18-32-51)58(66-40-50-29-15-5-16-30-50)55(71-46)45-70-62-61(69-43-53-35-21-8-22-36-53)60(68-42-52-33-19-7-20-34-52)57(65-39-49-27-13-4-14-28-49)54(72-62)44-63-37-47-23-9-2-10-24-47/h2-36,46,54-62H,37-45H2,1H3/t46-,54?,55?,56?,57-,58-,59-,60-,61?,62+/m0/s1
InChIKeyKIORMKIEJLRSLS-YHLPVGSGSA-N
XLogP11.24
TPSA92.30 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds25
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500971.20
LogP ≤ 511.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze (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 with MolForge

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Related Compounds

(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
(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-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
(2R,3R,4S,5R,6R)-2-methoxy-3-[(2R,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 101143250
(2S,3S,4S,5R,6R)-2,3,4,5-tetrakis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 66864680
(2S,3S,4S,5S)-2-methoxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 66509215
(2R,3R,4S,5R,6R)-2-fluoro-3,4,5-tris(phenylmethoxy)-6-[[(2S,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]oxane
CID 102466879
(3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-[[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]oxan-2-ol
CID 54589858
(2S,3R,5S)-2,6-dimethyl-5-phenylmethoxy-4-[(2S,4S,5S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-ol
CID 59491334
(3R,4R,5S,6S)-4-[(2S,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]oxy-6-methyl-3,5-bis(phenylmethoxy)oxan-2-ol
CID 11787527

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C[C@@H]1OC(CO[C@@H]2OC(COCc3ccccc3)[C@H](OCc3ccccc3)[C@H](OCc3ccccc3)C2OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)C1OCc1ccccc1.
What is the InChIKey of (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?
The InChIKey is KIORMKIEJLRSLS-YHLPVGSGSA-N. The full InChI is InChI=1S/C62H66O10/c1-46-56(64-38-48-25-11-3-12-26-48)59(67-41-51-31-17-6-18-32-51)58(66-40-50-29-15-5-16-30-50)55(71-46)45-70-62-61(69-43-53-35-21-8-22-36-53)60(68-42-52-33-19-7-20-34-52)57(65-39-49-27-13-4-14-28-49)54(72-62)44-63-37-47-23-9-2-10-24-47/h2-36,46,54-62H,37-45H2,1H3/t46-,54?,55?,56?,57-,58-,59-,60-,61?,62+/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 971.20 g/mol, XLogP of 11.24, 25 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 146032483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).