[(2R,3R,4S,5R,6R)-6-phenyl-3,4,5-tris(phenylmethoxy)-6-[[(2R,3R,4R,5S)-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]oxan-2-yl]methyl acetate

C62H64O11 — CID 173173026

IUPAC[(2R,3R,4S,5R,6R)-6-phenyl-3,4,5-tris(phenylmethoxy)-6-[[(2R,3R,4R,5S)-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]oxan-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1O[C@](OC[C@H]2OC[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)(c2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C62H64O11/c1-46(63)64-44-56-59(69-40-50-29-15-5-16-30-50)60(70-41-51-31-17-6-18-32-51)61(71-42-52-33-19-7-20-34-52)62(73-56,53-35-21-8-22-36-53)72-45-55-58(68-39-49-27-13-4-14-28-49)57(67-38-48-25-11-3-12-26-48)54(43-66-55)65-37-47-23-9-2-10-24-47/h2-36,54-61H,37-45H2,1H3/t54-,55+,56+,57+,58+,59+,60-,61+,62+/m0/s1
InChIKeyHSYNTCFELLRZGA-OHAKTDFESA-N
MW985.18 g/mol
LogP10.73
Rot. Bonds24

About [(2R,3R,4S,5R,6R)-6-phenyl-3,4,5-tris(phenylmethoxy)-6-[[(2R,3R,4R,5S)-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]oxan-2-yl]methyl acetate

[(2R,3R,4S,5R,6R)-6-phenyl-3,4,5-tris(phenylmethoxy)-6-[[(2R,3R,4R,5S)-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]oxan-2-yl]methyl acetate (PubChem CID 173173026) has the molecular formula C62H64O11 and a molecular weight of 985.18 g/mol. Its IUPAC name is [(2R,3R,4S,5R,6R)-6-phenyl-3,4,5-tris(phenylmethoxy)-6-[[(2R,3R,4R,5S)-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]oxan-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2R,3R,4S,5R,6R)-6-phenyl-3,4,5-tris(phenylmethoxy)-6-[[(2R,3R,4R,5S)-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]oxan-2-yl]methyl acetate
PubChem CID173173026
Molecular FormulaC62H64O11
Molecular Weight985.18 g/mol
Exact Mass984.44
IUPAC Name[(2R,3R,4S,5R,6R)-6-phenyl-3,4,5-tris(phenylmethoxy)-6-[[(2R,3R,4R,5S)-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]oxan-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1O[C@](OC[C@H]2OC[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)(c2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C62H64O11/c1-46(63)64-44-56-59(69-40-50-29-15-5-16-30-50)60(70-41-51-31-17-6-18-32-51)61(71-42-52-33-19-7-20-34-52)62(73-56,53-35-21-8-22-36-53)72-45-55-58(68-39-49-27-13-4-14-28-49)57(67-38-48-25-11-3-12-26-48)54(43-66-55)65-37-47-23-9-2-10-24-47/h2-36,54-61H,37-45H2,1H3/t54-,55+,56+,57+,58+,59+,60-,61+,62+/m0/s1
InChIKeyHSYNTCFELLRZGA-OHAKTDFESA-N
XLogP10.73
TPSA109.37 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds24
Heavy Atoms73
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500985.18
LogP ≤ 510.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze [(2R,3R,4S,5R,6R)-6-phenyl-3,4,5-tris(phenylmethoxy)-6-[[(2R,3R,4R,5S)-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]oxan-2-yl]methyl acetate with MolForge

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Related Compounds

[3,4,5-tris(phenylmethoxy)oxan-2-yl] acetate
CID 73019389
[(2R,3R,4R,5S)-5-acetyloxy-3,4-bis(phenylmethoxy)oxolan-2-yl]methyl acetate
CID 134882849
(2R,3R,4S)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxolane
CID 122363520
[(2R,3R,4S,5S,6R)-4,5-diacetyloxy-3-phenylmethoxy-6-[(2R,3S,4S,5R,6S)-2,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-3-yl]oxyoxan-2-yl]methyl acetate
CID 118869927
(3S,4S)-3-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane
CID 135017778
[(2R,3S,4S,5R,6R)-6-acetyloxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl acetate
CID 12900869
[(2S,5R)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl acetate
CID 163477744
[(2S,3R,4S,5S,6R)-3,4,5,6-tetrakis(phenylmethoxy)oxan-2-yl]methyl acetate
CID 91699912
[(3S,4S,6R)-6-hydroxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl acetate
CID 153310904
[(2R,6R)-6-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]methyl acetate
CID 174272359
[(2R,3R,4S,5R,6R)-6-chloro-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl acetate
CID 11016689
[3,4-diacetyloxy-6-[2,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-3-yl]oxy-5-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate
CID 162995087

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S,5R,6R)-6-phenyl-3,4,5-tris(phenylmethoxy)-6-[[(2R,3R,4R,5S)-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]oxan-2-yl]methyl acetate?
The IUPAC name of [(2R,3R,4S,5R,6R)-6-phenyl-3,4,5-tris(phenylmethoxy)-6-[[(2R,3R,4R,5S)-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]oxan-2-yl]methyl acetate (CID 173173026) is [(2R,3R,4S,5R,6R)-6-phenyl-3,4,5-tris(phenylmethoxy)-6-[[(2R,3R,4R,5S)-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]oxan-2-yl]methyl acetate.
What is the SMILES notation for [(2R,3R,4S,5R,6R)-6-phenyl-3,4,5-tris(phenylmethoxy)-6-[[(2R,3R,4R,5S)-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]oxan-2-yl]methyl acetate?
The canonical SMILES for [(2R,3R,4S,5R,6R)-6-phenyl-3,4,5-tris(phenylmethoxy)-6-[[(2R,3R,4R,5S)-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]oxan-2-yl]methyl acetate is CC(=O)OC[C@H]1O[C@](OC[C@H]2OC[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)(c2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1.
What is the InChIKey of [(2R,3R,4S,5R,6R)-6-phenyl-3,4,5-tris(phenylmethoxy)-6-[[(2R,3R,4R,5S)-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]oxan-2-yl]methyl acetate?
The InChIKey is HSYNTCFELLRZGA-OHAKTDFESA-N. The full InChI is InChI=1S/C62H64O11/c1-46(63)64-44-56-59(69-40-50-29-15-5-16-30-50)60(70-41-51-31-17-6-18-32-51)61(71-42-52-33-19-7-20-34-52)62(73-56,53-35-21-8-22-36-53)72-45-55-58(68-39-49-27-13-4-14-28-49)57(67-38-48-25-11-3-12-26-48)54(43-66-55)65-37-47-23-9-2-10-24-47/h2-36,54-61H,37-45H2,1H3/t54-,55+,56+,57+,58+,59+,60-,61+,62+/m0/s1.
What are the key properties of [(2R,3R,4S,5R,6R)-6-phenyl-3,4,5-tris(phenylmethoxy)-6-[[(2R,3R,4R,5S)-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]oxan-2-yl]methyl acetate?
[(2R,3R,4S,5R,6R)-6-phenyl-3,4,5-tris(phenylmethoxy)-6-[[(2R,3R,4R,5S)-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]oxan-2-yl]methyl acetate has a molecular weight of 985.18 g/mol, XLogP of 10.73, 24 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4S,5R,6R)-6-phenyl-3,4,5-tris(phenylmethoxy)-6-[[(2R,3R,4R,5S)-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]oxan-2-yl]methyl acetate is sourced from PubChem (CID 173173026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).